5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine

C23H42N2 — CID 123664372

IUPAC5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine
SMILES[H]/N=C(/C(CCCN)=C1CC(C)CC(C)(C)C1)C1CC(C)CC(C)(C)C1
InChIInChI=1S/C23H42N2/c1-16-10-18(14-22(3,4)12-16)20(8-7-9-24)21(25)19-11-17(2)13-23(5,6)15-19/h16-17,19,25H,7-15,24H2,1-6H3/b20-18?,25-21+
InChIKeyCUTMIWASGZALFZ-INOPHNIMSA-N
MW346.60 g/mol
LogP6.35
Rot. Bonds5

About 5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine

5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine (PubChem CID 123664372) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine.

Molecular Properties

Compound Name5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine
PubChem CID123664372
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC Name5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine
SMILES[H]/N=C(/C(CCCN)=C1CC(C)CC(C)(C)C1)C1CC(C)CC(C)(C)C1
InChIInChI=1S/C23H42N2/c1-16-10-18(14-22(3,4)12-16)20(8-7-9-24)21(25)19-11-17(2)13-23(5,6)15-19/h16-17,19,25H,7-15,24H2,1-6H3/b20-18?,25-21+
InChIKeyCUTMIWASGZALFZ-INOPHNIMSA-N
XLogP6.35
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine with MolForge

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Related Compounds

8-Cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine
CID 123565693
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
(E)-4-ethanimidoyl-6-[(2-imino-5-methylidenecyclohexyl)methyl]-8,8,9,9,11,11,12,12-octamethyltridec-6-en-2-amine
CID 145436103
(Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine
CID 145299305

Frequently Asked Questions

What is the IUPAC name of 5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine?
The IUPAC name of 5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine (CID 123664372) is 5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine.
What is the SMILES notation for 5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine?
The canonical SMILES for 5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine is [H]/N=C(/C(CCCN)=C1CC(C)CC(C)(C)C1)C1CC(C)CC(C)(C)C1.
What is the InChIKey of 5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine?
The InChIKey is CUTMIWASGZALFZ-INOPHNIMSA-N. The full InChI is InChI=1S/C23H42N2/c1-16-10-18(14-22(3,4)12-16)20(8-7-9-24)21(25)19-11-17(2)13-23(5,6)15-19/h16-17,19,25H,7-15,24H2,1-6H3/b20-18?,25-21+.
What are the key properties of 5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine?
5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine has a molecular weight of 346.60 g/mol, XLogP of 6.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine is sourced from PubChem (CID 123664372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).