N-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine

C18H30N2 — CID 6623698

IUPACN-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(NCCNC2CCCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-15(2)16-9-11-18(12-10-16)20-14-13-19-17-7-5-3-4-6-8-17/h9-12,15,17,19-20H,3-8,13-14H2,1-2H3
InChIKeyIJWVIRGHKVKPFV-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.53
Rot. Bonds6

About N-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine

N-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 6623698) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID6623698
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(NCCNC2CCCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-15(2)16-9-11-18(12-10-16)20-14-13-19-17-7-5-3-4-6-8-17/h9-12,15,17,19-20H,3-8,13-14H2,1-2H3
InChIKeyIJWVIRGHKVKPFV-UHFFFAOYSA-N
XLogP4.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cycloheptyl-N'-(4-propan-2-ylphenyl)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-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 6623698) is N-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine is CC(C)c1ccc(NCCNC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is IJWVIRGHKVKPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)16-9-11-18(12-10-16)20-14-13-19-17-7-5-3-4-6-8-17/h9-12,15,17,19-20H,3-8,13-14H2,1-2H3.
What are the key properties of N-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 6623698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).