methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine

C80H192N12O — CID 157192131

IUPACmethane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
SMILESC.C.C.C.C.C.C.C.C.CC(C)CCN.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCNC1CCNCC1
InChIInChI=1S/2C10H22N2.C10H21N.2C9H20N2.C9H19NO.C9H19N.C5H13N.9CH4/c1-9(2)3-8-12-10-4-6-11-7-5-10;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)6-9-11-7-4-3-5-8-11;2*1-9(2)3-6-11-7-4-10-5-8-11;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-8-10-6-3-4-7-10;1-5(2)3-4-6;;;;;;;;;/h9-12H,3-8H2,1-2H3;10H,4-9H2,1-3H3;10H,3-9H2,1-2H3;2*9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;5H,3-4,6H2,1-2H3;9*1H4
InChIKeyAPUZUJGZNFRCBA-UHFFFAOYSA-N
MW1338.50 g/mol
LogP17.26
Rot. Bonds24

About methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine

methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine (PubChem CID 157192131) has the molecular formula C80H192N12O and a molecular weight of 1338.50 g/mol. Its IUPAC name is methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine.

Molecular Properties

Compound Namemethane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
PubChem CID157192131
Molecular FormulaC80H192N12O
Molecular Weight1338.50 g/mol
Exact Mass1337.53
IUPAC Namemethane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
SMILESC.C.C.C.C.C.C.C.C.CC(C)CCN.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCNC1CCNCC1
InChIInChI=1S/2C10H22N2.C10H21N.2C9H20N2.C9H19NO.C9H19N.C5H13N.9CH4/c1-9(2)3-8-12-10-4-6-11-7-5-10;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)6-9-11-7-4-3-5-8-11;2*1-9(2)3-6-11-7-4-10-5-8-11;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-8-10-6-3-4-7-10;1-5(2)3-4-6;;;;;;;;;/h9-12H,3-8H2,1-2H3;10H,4-9H2,1-3H3;10H,3-9H2,1-2H3;2*9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;5H,3-4,6H2,1-2H3;9*1H4
InChIKeyAPUZUJGZNFRCBA-UHFFFAOYSA-N
XLogP17.26
TPSA106.05 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001338.50
LogP ≤ 517.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine
CID 158860544
4-[6-(4-Butan-2-ylpiperazin-1-yl)-4-butyl-5-(4-ethylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-3-piperidin-1-yl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyrrolidin-1-ylpiperazin-2-yl]morpholine
CID 54563479
1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine
CID 91291877
4-[1-[3-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]-8-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(4-piperazin-1-ylpiperidin-1-yl)-6-(4-piperidin-4-ylpiperidin-1-yl)nonan-4-yl]piperidin-4-yl]morpholine
CID 146177091
N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium
CID 155702607
3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine
CID 157063805
2,3-dimethylbutan-1-amine;N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;2,2,3-trimethylbutan-1-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane
CID 157205695
1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
CID 157291544
Ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine
CID 157299362
(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 157377650
1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
CID 157379499
ethane;methane;1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine
CID 157532905

Frequently Asked Questions

What is the IUPAC name of methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine?
The IUPAC name of methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine (CID 157192131) is methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine.
What is the SMILES notation for methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine?
The canonical SMILES for methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine is C.C.C.C.C.C.C.C.C.CC(C)CCN.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCNC1CCNCC1.
What is the InChIKey of methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine?
The InChIKey is APUZUJGZNFRCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22N2.C10H21N.2C9H20N2.C9H19NO.C9H19N.C5H13N.9CH4/c1-9(2)3-8-12-10-4-6-11-7-5-10;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)6-9-11-7-4-3-5-8-11;2*1-9(2)3-6-11-7-4-10-5-8-11;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-8-10-6-3-4-7-10;1-5(2)3-4-6;;;;;;;;;/h9-12H,3-8H2,1-2H3;10H,4-9H2,1-3H3;10H,3-9H2,1-2H3;2*9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;5H,3-4,6H2,1-2H3;9*1H4.
What are the key properties of methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine?
methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine has a molecular weight of 1338.50 g/mol, XLogP of 17.26, 24 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine is sourced from PubChem (CID 157192131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).