N-(2-cyclohexylethyl)hexan-1-amine

C14H29N — CID 20553692

IUPACN-(2-cyclohexylethyl)hexan-1-amine
SMILESCCCCCCNCCC1CCCCC1
InChIInChI=1S/C14H29N/c1-2-3-4-8-12-15-13-11-14-9-6-5-7-10-14/h14-15H,2-13H2,1H3
InChIKeyISPPHJQCJFEUGK-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.13
Rot. Bonds8

About N-(2-cyclohexylethyl)hexan-1-amine

N-(2-cyclohexylethyl)hexan-1-amine (PubChem CID 20553692) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)hexan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)hexan-1-amine
PubChem CID20553692
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-(2-cyclohexylethyl)hexan-1-amine
SMILESCCCCCCNCCC1CCCCC1
InChIInChI=1S/C14H29N/c1-2-3-4-8-12-15-13-11-14-9-6-5-7-10-14/h14-15H,2-13H2,1H3
InChIKeyISPPHJQCJFEUGK-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)hexan-1-amine?
The IUPAC name of N-(2-cyclohexylethyl)hexan-1-amine (CID 20553692) is N-(2-cyclohexylethyl)hexan-1-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)hexan-1-amine?
The canonical SMILES for N-(2-cyclohexylethyl)hexan-1-amine is CCCCCCNCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)hexan-1-amine?
The InChIKey is ISPPHJQCJFEUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-2-3-4-8-12-15-13-11-14-9-6-5-7-10-14/h14-15H,2-13H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)hexan-1-amine?
N-(2-cyclohexylethyl)hexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)hexan-1-amine is sourced from PubChem (CID 20553692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).