2-decyl-N,4-diethylcyclohexan-1-amine

C20H41N — CID 63403278

IUPAC2-decyl-N,4-diethylcyclohexan-1-amine
SMILESCCCCCCCCCCC1CC(CC)CCC1NCC
InChIInChI=1S/C20H41N/c1-4-7-8-9-10-11-12-13-14-19-17-18(5-2)15-16-20(19)21-6-3/h18-21H,4-17H2,1-3H3
InChIKeyNXELYVNFDIRFOD-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.32
Rot. Bonds12

About 2-decyl-N,4-diethylcyclohexan-1-amine

2-decyl-N,4-diethylcyclohexan-1-amine (PubChem CID 63403278) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 2-decyl-N,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-decyl-N,4-diethylcyclohexan-1-amine
PubChem CID63403278
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name2-decyl-N,4-diethylcyclohexan-1-amine
SMILESCCCCCCCCCCC1CC(CC)CCC1NCC
InChIInChI=1S/C20H41N/c1-4-7-8-9-10-11-12-13-14-19-17-18(5-2)15-16-20(19)21-6-3/h18-21H,4-17H2,1-3H3
InChIKeyNXELYVNFDIRFOD-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.32
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

2-butyl-N,4-diethylcyclohexan-1-amine
CID 63403670
N-ethyl-2-octylcyclopentan-1-amine
CID 63399748
N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727237
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
CID 113436996
2-dodecyl-4-ethylcyclohexan-1-ol
CID 63461251
3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64908774
(4-ethyl-2-octylcyclohexyl)methanamine
CID 81012449
1-bromo-4-ethyl-2-pentylcyclohexane
CID 63472989
N-ethyl-2-methyl-3-pentylcyclopentan-1-amine
CID 64907904
N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410736
4-methyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63403659

Frequently Asked Questions

What is the IUPAC name of 2-decyl-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 2-decyl-N,4-diethylcyclohexan-1-amine (CID 63403278) is 2-decyl-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-decyl-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 2-decyl-N,4-diethylcyclohexan-1-amine is CCCCCCCCCCC1CC(CC)CCC1NCC.
What is the InChIKey of 2-decyl-N,4-diethylcyclohexan-1-amine?
The InChIKey is NXELYVNFDIRFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-4-7-8-9-10-11-12-13-14-19-17-18(5-2)15-16-20(19)21-6-3/h18-21H,4-17H2,1-3H3.
What are the key properties of 2-decyl-N,4-diethylcyclohexan-1-amine?
2-decyl-N,4-diethylcyclohexan-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.32, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-N,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 63403278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).