1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine

C98H214N14O — CID 158956987

IUPAC1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine
SMILESC1CCN(CCCN2CCCCC2)CC1.CC(C)CN(C)C.CCC1CCCN1C.CCCC1CCCN1C.CCCCN(CC)CC.CCCCN1CCCC1.CCCCN1CCCCC1C.CCCCN1CCN(C)CC1.CCCN(CC)CC.CCCN1CCCC1.CCCN1CCCCC1.CCCN1CCOCC1
InChIInChI=1S/C13H26N2.C10H21N.C9H20N2.3C8H17N.C8H19N.C7H15NO.2C7H15N.C7H17N.C6H15N/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-3-4-8-11-9-6-5-7-10(11)2;1-3-4-5-11-8-6-10(2)7-9-11;1-3-5-8-6-4-7-9(8)2;1-2-6-9-7-4-3-5-8-9;1-2-3-6-9-7-4-5-8-9;1-4-7-8-9(5-2)6-3;1-2-3-8-4-6-9-7-5-8;1-3-7-5-4-6-8(7)2;1-2-5-8-6-3-4-7-8;1-4-7-8(5-2)6-3;1-6(2)5-7(3)4/h1-13H2;10H,3-9H2,1-2H3;3-9H2,1-2H3;8H,3-7H2,1-2H3;2*2-8H2,1H3;4-8H2,1-3H3;2-7H2,1H3;7H,3-6H2,1-2H3;2-7H2,1H3;4-7H2,1-3H3;6H,5H2,1-4H3
InChIKeyJMDACEBBSIYNNC-UHFFFAOYSA-N
MW1604.89 g/mol
LogP20.47
Rot. Bonds33

About 1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine

1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine (PubChem CID 158956987) has the molecular formula C98H214N14O and a molecular weight of 1604.89 g/mol. Its IUPAC name is 1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine
PubChem CID158956987
Molecular FormulaC98H214N14O
Molecular Weight1604.89 g/mol
Exact Mass1603.71
IUPAC Name1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine
SMILESC1CCN(CCCN2CCCCC2)CC1.CC(C)CN(C)C.CCC1CCCN1C.CCCC1CCCN1C.CCCCN(CC)CC.CCCCN1CCCC1.CCCCN1CCCCC1C.CCCCN1CCN(C)CC1.CCCN(CC)CC.CCCN1CCCC1.CCCN1CCCCC1.CCCN1CCOCC1
InChIInChI=1S/C13H26N2.C10H21N.C9H20N2.3C8H17N.C8H19N.C7H15NO.2C7H15N.C7H17N.C6H15N/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-3-4-8-11-9-6-5-7-10(11)2;1-3-4-5-11-8-6-10(2)7-9-11;1-3-5-8-6-4-7-9(8)2;1-2-6-9-7-4-3-5-8-9;1-2-3-6-9-7-4-5-8-9;1-4-7-8-9(5-2)6-3;1-2-3-8-4-6-9-7-5-8;1-3-7-5-4-6-8(7)2;1-2-5-8-6-3-4-7-8;1-4-7-8(5-2)6-3;1-6(2)5-7(3)4/h1-13H2;10H,3-9H2,1-2H3;3-9H2,1-2H3;8H,3-7H2,1-2H3;2*2-8H2,1H3;4-8H2,1-3H3;2-7H2,1H3;7H,3-6H2,1-2H3;2-7H2,1H3;4-7H2,1-3H3;6H,5H2,1-4H3
InChIKeyJMDACEBBSIYNNC-UHFFFAOYSA-N
XLogP20.47
TPSA54.59 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001604.89
LogP ≤ 520.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine with MolForge

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Related Compounds

N,N-diethyl-3-methylbutan-2-amine;N,N-diethyl-1-(3-methylbutan-2-yl)pyrrolidin-3-amine;N,3-dimethylbutan-2-amine;N,N-dimethyl-1-(3-methylbutan-2-yl)pyrrolidin-3-amine;N-ethyl-N,3-dimethylbutan-2-amine;bis(N-ethyl-3-methylbutan-2-amine);1-ethyl-4-(3-methylbutan-2-yl)piperazine;N-ethyl-N-methyl-1-(3-methylbutan-2-yl)pyrrolidin-3-amine;1-(3-methylbutan-2-yl)azetidine;N-(3-methylbutan-2-yl)cyclopropanamine;4-(3-methylbutan-2-yl)morpholine;bis(1-(3-methylbutan-2-yl)piperidine);1-(3-methylbutan-2-yl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperazine;3-methyl-N-propan-2-ylbutan-2-amine;3-methyl-N-propylbutan-2-amine;N,N,3-trimethylbutan-2-amine
CID 157861419
1,2-Dimethylpyrrolidine;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine;1,2,2-trimethylpiperidine;1,2,6-trimethylpiperidine;1,2,2-trimethylpyrrolidine;1,2,5-trimethylpyrrolidine
CID 158600946
N,N-dimethyl-2-(2-methylpyrrolidin-1-yl)ethanamine;3,4-dimethylmorpholine;1,2-dimethylpiperidine;1-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]piperazine;4-[2-(2-methylpyrrolidin-1-yl)ethyl]morpholine;1,2,4-trimethylpiperazine
CID 158863611
(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-N-ethyl-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-N-(2-methoxyethyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine)
CID 159280460
(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-N-ethyl-N-methyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3R)-N-(2-methoxyethyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 159381971
N,N-dimethyl-2-(2-methylpyrrolidin-1-yl)ethanamine;3,4-dimethylmorpholine;1,2-dimethylpiperidine;1,2-dimethylpyrrolidine;1-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]piperazine;4-[2-(2-methylpyrrolidin-1-yl)ethyl]morpholine;1,2,4-trimethylpiperazine
CID 159399562
3,5-Dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine
CID 159796469
N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-ethyl-2-methyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methyl-1,4-di(propan-2-yl)piperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-ylpyrrolidine
CID 160460392
1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine
CID 161366337
3-azabicyclo[3.1.0]hexane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;2,6-dimethylpiperidine;(2S,6R)-2,6-dimethylpiperidine;(2S,6S)-2,6-dimethylpiperidine;(2R,6R)-2,6-dimethylpiperidine;N,N-dimethylpyrrolidin-3-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;2-methylpiperidine;(2S)-2-methylpiperidine;(2R)-2-methylpiperidine;bis(piperidine);pyrrolidine
CID 161643901
3-azabicyclo[3.1.0]hexane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;2,6-dimethylpiperidine;(2S,6R)-2,6-dimethylpiperidine;(2S,6S)-2,6-dimethylpiperidine;(2R,6R)-2,6-dimethylpiperidine;(3S)-N,N-dimethylpyrrolidin-3-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;2-methylpiperidine;(2S)-2-methylpiperidine;(2R)-2-methylpiperidine;bis(piperidine);pyrrolidine
CID 161643902

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine?
The IUPAC name of 1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine (CID 158956987) is 1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine is C1CCN(CCCN2CCCCC2)CC1.CC(C)CN(C)C.CCC1CCCN1C.CCCC1CCCN1C.CCCCN(CC)CC.CCCCN1CCCC1.CCCCN1CCCCC1C.CCCCN1CCN(C)CC1.CCCN(CC)CC.CCCN1CCCC1.CCCN1CCCCC1.CCCN1CCOCC1.
What is the InChIKey of 1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine?
The InChIKey is JMDACEBBSIYNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C10H21N.C9H20N2.3C8H17N.C8H19N.C7H15NO.2C7H15N.C7H17N.C6H15N/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-3-4-8-11-9-6-5-7-10(11)2;1-3-4-5-11-8-6-10(2)7-9-11;1-3-5-8-6-4-7-9(8)2;1-2-6-9-7-4-3-5-8-9;1-2-3-6-9-7-4-5-8-9;1-4-7-8-9(5-2)6-3;1-2-3-8-4-6-9-7-5-8;1-3-7-5-4-6-8(7)2;1-2-5-8-6-3-4-7-8;1-4-7-8(5-2)6-3;1-6(2)5-7(3)4/h1-13H2;10H,3-9H2,1-2H3;3-9H2,1-2H3;8H,3-7H2,1-2H3;2*2-8H2,1H3;4-8H2,1-3H3;2-7H2,1H3;7H,3-6H2,1-2H3;2-7H2,1H3;4-7H2,1-3H3;6H,5H2,1-4H3.
What are the key properties of 1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine?
1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine has a molecular weight of 1604.89 g/mol, XLogP of 20.47, 33 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 158956987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).