1-cyclohexyl-N-propylnonan-1-amine

C18H37N — CID 20518100

IUPAC1-cyclohexyl-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)C1CCCCC1
InChIInChI=1S/C18H37N/c1-3-5-6-7-8-12-15-18(19-16-4-2)17-13-10-9-11-14-17/h17-19H,3-16H2,1-2H3
InChIKeyCSQCRAYLBQBLID-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.69
Rot. Bonds11

About 1-cyclohexyl-N-propylnonan-1-amine

1-cyclohexyl-N-propylnonan-1-amine (PubChem CID 20518100) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-cyclohexyl-N-propylnonan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-propylnonan-1-amine
PubChem CID20518100
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-cyclohexyl-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)C1CCCCC1
InChIInChI=1S/C18H37N/c1-3-5-6-7-8-12-15-18(19-16-4-2)17-13-10-9-11-14-17/h17-19H,3-16H2,1-2H3
InChIKeyCSQCRAYLBQBLID-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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-propylnonan-1-amine?
The IUPAC name of 1-cyclohexyl-N-propylnonan-1-amine (CID 20518100) is 1-cyclohexyl-N-propylnonan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-propylnonan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-propylnonan-1-amine is CCCCCCCCC(NCCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-propylnonan-1-amine?
The InChIKey is CSQCRAYLBQBLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-3-5-6-7-8-12-15-18(19-16-4-2)17-13-10-9-11-14-17/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-propylnonan-1-amine?
1-cyclohexyl-N-propylnonan-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 1-cyclohexyl-N-propylnonan-1-amine is sourced from PubChem (CID 20518100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).