4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine

C80H171N9 — CID 167641118

IUPAC4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine
SMILESCC(C)(C)CCCN1CCCC1.CC(C)(C)CCN1CCCC1.CCN(C)CCC(C)(C)C.CCN(CC)CCCC(C)(C)C.CCN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CCN1CCCC(CC(C)(C)C)C1.CN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C16H32N2.C12H25N.C11H24N2.C11H23N.C11H25N.C10H21N.C9H21N/c1-5-17-10-8-15(9-11-17)18-12-6-14(7-13-18)16(2,3)4;1-5-13-8-6-7-11(10-13)9-12(2,3)4;1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-11(2,3)7-6-10-12-8-4-5-9-12;1-6-12(7-2)10-8-9-11(3,4)5;1-10(2,3)6-9-11-7-4-5-8-11;1-6-10(5)8-7-9(2,3)4/h14-15H,5-13H2,1-4H3;11H,5-10H2,1-4H3;5-10H2,1-4H3;4-10H2,1-3H3;6-10H2,1-5H3;4-9H2,1-3H3;6-8H2,1-5H3
InChIKeyPEEDAHWCWXJBLU-UHFFFAOYSA-N
MW1259.31 g/mol
LogP19.01
Rot. Bonds19

About 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine

4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine (PubChem CID 167641118) has the molecular formula C80H171N9 and a molecular weight of 1259.31 g/mol. Its IUPAC name is 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine
PubChem CID167641118
Molecular FormulaC80H171N9
Molecular Weight1259.31 g/mol
Exact Mass1258.37
IUPAC Name4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine
SMILESCC(C)(C)CCCN1CCCC1.CC(C)(C)CCN1CCCC1.CCN(C)CCC(C)(C)C.CCN(CC)CCCC(C)(C)C.CCN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CCN1CCCC(CC(C)(C)C)C1.CN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C16H32N2.C12H25N.C11H24N2.C11H23N.C11H25N.C10H21N.C9H21N/c1-5-17-10-8-15(9-11-17)18-12-6-14(7-13-18)16(2,3)4;1-5-13-8-6-7-11(10-13)9-12(2,3)4;1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-11(2,3)7-6-10-12-8-4-5-9-12;1-6-12(7-2)10-8-9-11(3,4)5;1-10(2,3)6-9-11-7-4-5-8-11;1-6-10(5)8-7-9(2,3)4/h14-15H,5-13H2,1-4H3;11H,5-10H2,1-4H3;5-10H2,1-4H3;4-10H2,1-3H3;6-10H2,1-5H3;4-9H2,1-3H3;6-8H2,1-5H3
InChIKeyPEEDAHWCWXJBLU-UHFFFAOYSA-N
XLogP19.01
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001259.31
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine with MolForge

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Related Compounds

(1R,4R)-2-tert-butyl-5-[2,4-dimethyl-4-[1-(2,3,3-trimethylpentan-2-yl)piperidin-4-yl]pentan-2-yl]-2,5-diazabicyclo[2.2.1]heptane;methane;propane
CID 142386375
(4S)-2-tert-butyl-5-[2,4-dimethyl-4-[1-(2,3,3-trimethylpentan-2-yl)piperidin-4-yl]pentan-2-yl]-2,5-diazabicyclo[2.2.1]heptane;methane;propane
CID 153398672
1-[2,4-Dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane
CID 153398691
1-(4,4-Dimethylhexan-2-yl)-4-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane
CID 153544209
(1S,5R)-3-tert-butyl-6-[[4-tert-butyl-3-[2-[(1S,5R)-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-methylpropyl]piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane
CID 156551213
1,3-Bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine)
CID 157108199
N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine
CID 157247493
1-Tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten
CID 157322500
2,5-Bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine);1,3-bis(2-methylpropyl)pyrrolidine
CID 157403411
1-(5,5-Dimethylhexyl)pyrrolidine;2-(4,4-dimethylpentyl)-1-methylpyrrolidine;1-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2,2,8,8-tetramethylnonane
CID 157686078
1-Tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;ethane
CID 157932353
bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine
CID 158122348

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine (CID 167641118) is 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine is CC(C)(C)CCCN1CCCC1.CC(C)(C)CCN1CCCC1.CCN(C)CCC(C)(C)C.CCN(CC)CCCC(C)(C)C.CCN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CCN1CCCC(CC(C)(C)C)C1.CN1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine?
The InChIKey is PEEDAHWCWXJBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.C12H25N.C11H24N2.C11H23N.C11H25N.C10H21N.C9H21N/c1-5-17-10-8-15(9-11-17)18-12-6-14(7-13-18)16(2,3)4;1-5-13-8-6-7-11(10-13)9-12(2,3)4;1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-11(2,3)7-6-10-12-8-4-5-9-12;1-6-12(7-2)10-8-9-11(3,4)5;1-10(2,3)6-9-11-7-4-5-8-11;1-6-10(5)8-7-9(2,3)4/h14-15H,5-13H2,1-4H3;11H,5-10H2,1-4H3;5-10H2,1-4H3;4-10H2,1-3H3;6-10H2,1-5H3;4-9H2,1-3H3;6-8H2,1-5H3.
What are the key properties of 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine?
4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine has a molecular weight of 1259.31 g/mol, XLogP of 19.01, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 167641118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).