2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine

C12H29N3 — CID 19736231

IUPAC2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine
SMILESCC(C)CCCNCCNCC(C)(C)N
InChIInChI=1S/C12H29N3/c1-11(2)6-5-7-14-8-9-15-10-12(3,4)13/h11,14-15H,5-10,13H2,1-4H3
InChIKeyIFKDPWAJRNUJIQ-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.34
Rot. Bonds9

About 2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine

2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine (PubChem CID 19736231) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine
PubChem CID19736231
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine
SMILESCC(C)CCCNCCNCC(C)(C)N
InChIInChI=1S/C12H29N3/c1-11(2)6-5-7-14-8-9-15-10-12(3,4)13/h11,14-15H,5-10,13H2,1-4H3
InChIKeyIFKDPWAJRNUJIQ-UHFFFAOYSA-N
XLogP1.34
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-N-[2-(4-methylpentylamino)ethyl]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-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine (CID 19736231) is 2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine is CC(C)CCCNCCNCC(C)(C)N.
What is the InChIKey of 2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine?
The InChIKey is IFKDPWAJRNUJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-11(2)6-5-7-14-8-9-15-10-12(3,4)13/h11,14-15H,5-10,13H2,1-4H3.
What are the key properties of 2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine?
2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.34, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[2-(4-methylpentylamino)ethyl]propane-1,2-diamine is sourced from PubChem (CID 19736231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).