N-(5-ethyltetradecan-7-yl)cyclohexanamine

C22H45N — CID 23325879

IUPACN-(5-ethyltetradecan-7-yl)cyclohexanamine
SMILESCCCCCCCC(CC(CC)CCCC)NC1CCCCC1
InChIInChI=1S/C22H45N/c1-4-7-9-10-12-18-22(19-20(6-3)15-8-5-2)23-21-16-13-11-14-17-21/h20-23H,4-19H2,1-3H3
InChIKeyDOTCSXRIXNUACC-UHFFFAOYSA-N
MW323.61 g/mol
LogP7.24
Rot. Bonds14

About N-(5-ethyltetradecan-7-yl)cyclohexanamine

N-(5-ethyltetradecan-7-yl)cyclohexanamine (PubChem CID 23325879) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is N-(5-ethyltetradecan-7-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(5-ethyltetradecan-7-yl)cyclohexanamine
PubChem CID23325879
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC NameN-(5-ethyltetradecan-7-yl)cyclohexanamine
SMILESCCCCCCCC(CC(CC)CCCC)NC1CCCCC1
InChIInChI=1S/C22H45N/c1-4-7-9-10-12-18-22(19-20(6-3)15-8-5-2)23-21-16-13-11-14-17-21/h20-23H,4-19H2,1-3H3
InChIKeyDOTCSXRIXNUACC-UHFFFAOYSA-N
XLogP7.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 57.24
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-(5-ethyltetradecan-7-yl)cyclohexanamine?
The IUPAC name of N-(5-ethyltetradecan-7-yl)cyclohexanamine (CID 23325879) is N-(5-ethyltetradecan-7-yl)cyclohexanamine.
What is the SMILES notation for N-(5-ethyltetradecan-7-yl)cyclohexanamine?
The canonical SMILES for N-(5-ethyltetradecan-7-yl)cyclohexanamine is CCCCCCCC(CC(CC)CCCC)NC1CCCCC1.
What is the InChIKey of N-(5-ethyltetradecan-7-yl)cyclohexanamine?
The InChIKey is DOTCSXRIXNUACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N/c1-4-7-9-10-12-18-22(19-20(6-3)15-8-5-2)23-21-16-13-11-14-17-21/h20-23H,4-19H2,1-3H3.
What are the key properties of N-(5-ethyltetradecan-7-yl)cyclohexanamine?
N-(5-ethyltetradecan-7-yl)cyclohexanamine has a molecular weight of 323.61 g/mol, XLogP of 7.24, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyltetradecan-7-yl)cyclohexanamine is sourced from PubChem (CID 23325879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).