N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine

C18H37N — CID 81029529

IUPACN-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC(C)CC1CC(CCC)CCC1CNCC
InChIInChI=1S/C18H37N/c1-5-8-15(4)12-18-13-16(9-6-2)10-11-17(18)14-19-7-3/h15-19H,5-14H2,1-4H3
InChIKeyCQJROTQJGKNOAS-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.25
Rot. Bonds9

About N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine

N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine (PubChem CID 81029529) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
PubChem CID81029529
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC(C)CC1CC(CCC)CCC1CNCC
InChIInChI=1S/C18H37N/c1-5-8-15(4)12-18-13-16(9-6-2)10-11-17(18)14-19-7-3/h15-19H,5-14H2,1-4H3
InChIKeyCQJROTQJGKNOAS-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
CID 82935925
2-(2-methylpentyl)-4-propylcyclohexan-1-ol
CID 63461803
N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029901
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 81022950
N-[[4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]ethanamine
CID 116628199
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
CID 81034508
2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029546
[2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine
CID 114201490
N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine
CID 81029906
N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine
CID 81028834
N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029701
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine
CID 81021865

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine (CID 81029529) is N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine is CCCC(C)CC1CC(CCC)CCC1CNCC.
What is the InChIKey of N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine?
The InChIKey is CQJROTQJGKNOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-8-15(4)12-18-13-16(9-6-2)10-11-17(18)14-19-7-3/h15-19H,5-14H2,1-4H3.
What are the key properties of N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine?
N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine has a molecular weight of 267.50 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81029529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).