N-cyclohexyl-N-hexadecylcyclohexanamine

C28H55N — CID 20533826

IUPACN-cyclohexyl-N-hexadecylcyclohexanamine
SMILESCCCCCCCCCCCCCCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H55N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-29(27-22-17-15-18-23-27)28-24-19-16-20-25-28/h27-28H,2-26H2,1H3
InChIKeyOHUSASYVVJXSFH-UHFFFAOYSA-N
MW405.76 g/mol
LogP9.44
Rot. Bonds17

About N-cyclohexyl-N-hexadecylcyclohexanamine

N-cyclohexyl-N-hexadecylcyclohexanamine (PubChem CID 20533826) has the molecular formula C28H55N and a molecular weight of 405.76 g/mol. Its IUPAC name is N-cyclohexyl-N-hexadecylcyclohexanamine.

Molecular Properties

Compound NameN-cyclohexyl-N-hexadecylcyclohexanamine
PubChem CID20533826
Molecular FormulaC28H55N
Molecular Weight405.76 g/mol
Exact Mass405.43
IUPAC NameN-cyclohexyl-N-hexadecylcyclohexanamine
SMILESCCCCCCCCCCCCCCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H55N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-29(27-22-17-15-18-23-27)28-24-19-16-20-25-28/h27-28H,2-26H2,1H3
InChIKeyOHUSASYVVJXSFH-UHFFFAOYSA-N
XLogP9.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.76
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-hexadecylcyclohexanamine?
The IUPAC name of N-cyclohexyl-N-hexadecylcyclohexanamine (CID 20533826) is N-cyclohexyl-N-hexadecylcyclohexanamine.
What is the SMILES notation for N-cyclohexyl-N-hexadecylcyclohexanamine?
The canonical SMILES for N-cyclohexyl-N-hexadecylcyclohexanamine is CCCCCCCCCCCCCCCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-hexadecylcyclohexanamine?
The InChIKey is OHUSASYVVJXSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-29(27-22-17-15-18-23-27)28-24-19-16-20-25-28/h27-28H,2-26H2,1H3.
What are the key properties of N-cyclohexyl-N-hexadecylcyclohexanamine?
N-cyclohexyl-N-hexadecylcyclohexanamine has a molecular weight of 405.76 g/mol, XLogP of 9.44, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-hexadecylcyclohexanamine is sourced from PubChem (CID 20533826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).