8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine

C20H36N2 — CID 123565693

IUPAC8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine
SMILES[H]/N=C(/C(CCCCCCN)=C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H36N2/c21-16-10-2-1-9-15-19(17-11-5-3-6-12-17)20(22)18-13-7-4-8-14-18/h18,22H,1-16,21H2/b22-20+
InChIKeyUZFKNNLNEBGTBQ-LSDHQDQOSA-N
MW304.52 g/mol
LogP5.76
Rot. Bonds8

About 8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine

8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine (PubChem CID 123565693) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine.

Molecular Properties

Compound Name8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine
PubChem CID123565693
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine
SMILES[H]/N=C(/C(CCCCCCN)=C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H36N2/c21-16-10-2-1-9-15-19(17-11-5-3-6-12-17)20(22)18-13-7-4-8-14-18/h18,22H,1-16,21H2/b22-20+
InChIKeyUZFKNNLNEBGTBQ-LSDHQDQOSA-N
XLogP5.76
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

8-Cyclopentyl-7-cyclopentylidene-8-iminooctan-1-amine
CID 123312933
5-Imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine
CID 123664372
6-Imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine
CID 123826399
13-Ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine
CID 123894035
8-Imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine
CID 123996683
6-Cyclohexyl-5-cyclohexylidene-6-iminohexan-1-amine
CID 124005809
4-[2-(4-Iminocyclohexyl)ethylidene]cyclohexan-1-amine
CID 163760791

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine?
The IUPAC name of 8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine (CID 123565693) is 8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine.
What is the SMILES notation for 8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine?
The canonical SMILES for 8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine is [H]/N=C(/C(CCCCCCN)=C1CCCCC1)C1CCCCC1.
What is the InChIKey of 8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine?
The InChIKey is UZFKNNLNEBGTBQ-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H36N2/c21-16-10-2-1-9-15-19(17-11-5-3-6-12-17)20(22)18-13-7-4-8-14-18/h18,22H,1-16,21H2/b22-20+.
What are the key properties of 8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine?
8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine has a molecular weight of 304.52 g/mol, XLogP of 5.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine is sourced from PubChem (CID 123565693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).