N-[(4-ethylcyclohexyl)methyl]decan-1-amine

C19H39N — CID 63492900

IUPACN-[(4-ethylcyclohexyl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCC1CCC(CC)CC1
InChIInChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-16-20-17-19-14-12-18(4-2)13-15-19/h18-20H,3-17H2,1-2H3
InChIKeyYHDFYUQKQVLRLI-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.93
Rot. Bonds12

About N-[(4-ethylcyclohexyl)methyl]decan-1-amine

N-[(4-ethylcyclohexyl)methyl]decan-1-amine (PubChem CID 63492900) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]decan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]decan-1-amine
PubChem CID63492900
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-[(4-ethylcyclohexyl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCC1CCC(CC)CC1
InChIInChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-16-20-17-19-14-12-18(4-2)13-15-19/h18-20H,3-17H2,1-2H3
InChIKeyYHDFYUQKQVLRLI-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745
N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride
CID 11696932
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine
CID 118055067
N-(azetidin-3-ylmethyl)hexan-1-amine
CID 175786912
N-decyl-4-ethylcyclohexan-1-amine
CID 63492402
N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine
CID 43130311
N-[(3-chlorocyclohexyl)methyl]dodecan-1-amine
CID 106122733

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]decan-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]decan-1-amine (CID 63492900) is N-[(4-ethylcyclohexyl)methyl]decan-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]decan-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]decan-1-amine is CCCCCCCCCCNCC1CCC(CC)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]decan-1-amine?
The InChIKey is YHDFYUQKQVLRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-16-20-17-19-14-12-18(4-2)13-15-19/h18-20H,3-17H2,1-2H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]decan-1-amine?
N-[(4-ethylcyclohexyl)methyl]decan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]decan-1-amine is sourced from PubChem (CID 63492900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).