N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine

C19H37N — CID 107428318

IUPACN-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(CNC2CCCC(CC(C)C)C2)CC1
InChIInChI=1S/C19H37N/c1-4-16-8-10-17(11-9-16)14-20-19-7-5-6-18(13-19)12-15(2)3/h15-20H,4-14H2,1-3H3
InChIKeyDNORLNUYAPUFOI-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.40
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine

N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428318) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428318
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(CNC2CCCC(CC(C)C)C2)CC1
InChIInChI=1S/C19H37N/c1-4-16-8-10-17(11-9-16)14-20-19-7-5-6-18(13-19)12-15(2)3/h15-20H,4-14H2,1-3H3
InChIKeyDNORLNUYAPUFOI-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428536
[2-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclopentyl]methanol
CID 107428559
N-(1-cyclopropylpropan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428492
N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427829
3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
CID 107427844
N-ethyl-3-(2-methylpropyl)cyclopentan-1-amine
CID 64504045
N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428837
3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 107428382
3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine
CID 79461789
N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428772
3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol
CID 106284636
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428318) is N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine is CCC1CCC(CNC2CCCC(CC(C)C)C2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is DNORLNUYAPUFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-4-16-8-10-17(11-9-16)14-20-19-7-5-6-18(13-19)12-15(2)3/h15-20H,4-14H2,1-3H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).