N-decyl-4-ethylcyclohexan-1-amine

C18H37N — CID 63492402

IUPACN-decyl-4-ethylcyclohexan-1-amine
SMILESCCCCCCCCCCNC1CCC(CC)CC1
InChIInChI=1S/C18H37N/c1-3-5-6-7-8-9-10-11-16-19-18-14-12-17(4-2)13-15-18/h17-19H,3-16H2,1-2H3
InChIKeyRBHQAMLBHUUEQE-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.69
Rot. Bonds11

About N-decyl-4-ethylcyclohexan-1-amine

N-decyl-4-ethylcyclohexan-1-amine (PubChem CID 63492402) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-decyl-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-decyl-4-ethylcyclohexan-1-amine
PubChem CID63492402
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-decyl-4-ethylcyclohexan-1-amine
SMILESCCCCCCCCCCNC1CCC(CC)CC1
InChIInChI=1S/C18H37N/c1-3-5-6-7-8-9-10-11-16-19-18-14-12-17(4-2)13-15-18/h17-19H,3-16H2,1-2H3
InChIKeyRBHQAMLBHUUEQE-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.69
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'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
4-chloro-N-decylcyclohexan-1-amine
CID 65024074
4-chloro-N-hexylcyclohexan-1-amine
CID 65024365
4-chloro-N-octylcyclohexan-1-amine
CID 65023952
N-dodecylcyclohexanamine
CID 3679395
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
4-ethyl-N-hex-5-ynylcyclohexan-1-amine
CID 115694178
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
5-[(4-ethylcyclohexyl)amino]pentanoic acid
CID 103243784
[4-(butylamino)cyclohexyl]methanol
CID 89339972
3-methyl-N-octylcyclopentan-1-amine
CID 115566670

Frequently Asked Questions

What is the IUPAC name of N-decyl-4-ethylcyclohexan-1-amine?
The IUPAC name of N-decyl-4-ethylcyclohexan-1-amine (CID 63492402) is N-decyl-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-decyl-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-decyl-4-ethylcyclohexan-1-amine is CCCCCCCCCCNC1CCC(CC)CC1.
What is the InChIKey of N-decyl-4-ethylcyclohexan-1-amine?
The InChIKey is RBHQAMLBHUUEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-3-5-6-7-8-9-10-11-16-19-18-14-12-17(4-2)13-15-18/h17-19H,3-16H2,1-2H3.
What are the key properties of N-decyl-4-ethylcyclohexan-1-amine?
N-decyl-4-ethylcyclohexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 63492402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).