1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine

C17H36N2 — CID 79476914

IUPAC1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(CC)CC(C)CC)CC1
InChIInChI=1S/C17H36N2/c1-5-8-16-9-11-17(14-18,12-10-16)19(7-3)13-15(4)6-2/h15-16H,5-14,18H2,1-4H3
InChIKeyOIUUSOGSSLXUAL-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.04
Rot. Bonds8

About 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine (PubChem CID 79476914) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine
PubChem CID79476914
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(CC)CC(C)CC)CC1
InChIInChI=1S/C17H36N2/c1-5-8-16-9-11-17(14-18,12-10-16)19(7-3)13-15(4)6-2/h15-16H,5-14,18H2,1-4H3
InChIKeyOIUUSOGSSLXUAL-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N,N-diethylcyclohexan-1-amine
CID 9079354
1-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 60892907
1-(aminomethyl)-N,4-diethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 61603573
1-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 61605855
1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 62008121
1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 62009315
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine
CID 62009320
1-(aminomethyl)-4-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552711
1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552917
1-(aminomethyl)-4-ethyl-N-propyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552918
1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753679
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753697

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine (CID 79476914) is 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine is CCCC1CCC(CN)(N(CC)CC(C)CC)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine?
The InChIKey is OIUUSOGSSLXUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-8-16-9-11-17(14-18,12-10-16)19(7-3)13-15(4)6-2/h15-16H,5-14,18H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 79476914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).