2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine

C13H26N2 — CID 61443395

IUPAC2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine
SMILESCCCN(CC1CC1)CC(C)(N)C1CC1
InChIInChI=1S/C13H26N2/c1-3-8-15(9-11-4-5-11)10-13(2,14)12-6-7-12/h11-12H,3-10,14H2,1-2H3
InChIKeyCQMBBOMRRMITPC-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.24
Rot. Bonds7

About 2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine

2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine (PubChem CID 61443395) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine
PubChem CID61443395
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine
SMILESCCCN(CC1CC1)CC(C)(N)C1CC1
InChIInChI=1S/C13H26N2/c1-3-8-15(9-11-4-5-11)10-13(2,14)12-6-7-12/h11-12H,3-10,14H2,1-2H3
InChIKeyCQMBBOMRRMITPC-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-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-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine (CID 61443395) is 2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine is CCCN(CC1CC1)CC(C)(N)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine?
The InChIKey is CQMBBOMRRMITPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-8-15(9-11-4-5-11)10-13(2,14)12-6-7-12/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine?
2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 61443395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).