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

C18H38N2 — CID 82926451

IUPAC1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine
SMILESCCCN(CC(CC)CC)C1(CN)CCC(CC)CC1
InChIInChI=1S/C18H38N2/c1-5-13-20(14-16(6-2)7-3)18(15-19)11-9-17(8-4)10-12-18/h16-17H,5-15,19H2,1-4H3
InChIKeyLYFNKIAIPAFWRE-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.43
Rot. Bonds9

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

1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine (PubChem CID 82926451) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine
PubChem CID82926451
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine
SMILESCCCN(CC(CC)CC)C1(CN)CCC(CC)CC1
InChIInChI=1S/C18H38N2/c1-5-13-20(14-16(6-2)7-3)18(15-19)11-9-17(8-4)10-12-18/h16-17H,5-15,19H2,1-4H3
InChIKeyLYFNKIAIPAFWRE-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63485457
1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
CID 65088620
1-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 55191563
1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine
CID 62384555
1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 63487333
1-(aminomethyl)-4-ethyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 54986983
1-(aminomethyl)-N-(cyclopropylmethyl)-3-ethyl-N-propylcyclopentan-1-amine
CID 64501794
N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65088324
1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
CID 62698202
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine
CID 55193794

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine (CID 82926451) is 1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine is CCCN(CC(CC)CC)C1(CN)CCC(CC)CC1.
What is the InChIKey of 1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine?
The InChIKey is LYFNKIAIPAFWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-13-20(14-16(6-2)7-3)18(15-19)11-9-17(8-4)10-12-18/h16-17H,5-15,19H2,1-4H3.
What are the key properties of 1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine?
1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 82926451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).