N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine

C18H36N2 — CID 10446413

IUPACN-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCC(NCCNC2CCCCCCC2)C1C
InChIInChI=1S/C18H36N2/c1-15-9-8-12-18(16(15)2)20-14-13-19-17-10-6-4-3-5-7-11-17/h15-20H,3-14H2,1-2H3
InChIKeySAEDPLIJANPUKI-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.10
Rot. Bonds5

About N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine

N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine (PubChem CID 10446413) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine
PubChem CID10446413
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCC(NCCNC2CCCCCCC2)C1C
InChIInChI=1S/C18H36N2/c1-15-9-8-12-18(16(15)2)20-14-13-19-17-10-6-4-3-5-7-11-17/h15-20H,3-14H2,1-2H3
InChIKeySAEDPLIJANPUKI-UHFFFAOYSA-N
XLogP4.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine (CID 10446413) is N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine is CC1CCCC(NCCNC2CCCCCCC2)C1C.
What is the InChIKey of N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine?
The InChIKey is SAEDPLIJANPUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-15-9-8-12-18(16(15)2)20-14-13-19-17-10-6-4-3-5-7-11-17/h15-20H,3-14H2,1-2H3.
What are the key properties of N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine?
N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 10446413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).