2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine

C13H26N2 — CID 163625431

IUPAC2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine
SMILESCC1=CCCCC1C(C)(C)NC(C)CN
InChIInChI=1S/C13H26N2/c1-10-7-5-6-8-12(10)13(3,4)15-11(2)9-14/h7,11-12,15H,5-6,8-9,14H2,1-4H3
InChIKeyHRPFETOZGHSSPS-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.45
Rot. Bonds4

About 2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine

2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine (PubChem CID 163625431) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine
PubChem CID163625431
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine
SMILESCC1=CCCCC1C(C)(C)NC(C)CN
InChIInChI=1S/C13H26N2/c1-10-7-5-6-8-12(10)13(3,4)15-11(2)9-14/h7,11-12,15H,5-6,8-9,14H2,1-4H3
InChIKeyHRPFETOZGHSSPS-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-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 2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine?
The IUPAC name of 2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine (CID 163625431) is 2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine is CC1=CCCCC1C(C)(C)NC(C)CN.
What is the InChIKey of 2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine?
The InChIKey is HRPFETOZGHSSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10-7-5-6-8-12(10)13(3,4)15-11(2)9-14/h7,11-12,15H,5-6,8-9,14H2,1-4H3.
What are the key properties of 2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine?
2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methylcyclohex-2-en-1-yl)propan-2-yl]propane-1,2-diamine is sourced from PubChem (CID 163625431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).