2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine

C10H17N3 — CID 83828100

IUPAC2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine
SMILESCc1cncc(C)c1NC(C)CN
InChIInChI=1S/C10H17N3/c1-7-5-12-6-8(2)10(7)13-9(3)4-11/h5-6,9H,4,11H2,1-3H3,(H,12,13)
InChIKeyLFSUAVVBUIDOAV-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.46
Rot. Bonds3

About 2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine

2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine (PubChem CID 83828100) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine
PubChem CID83828100
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine
SMILESCc1cncc(C)c1NC(C)CN
InChIInChI=1S/C10H17N3/c1-7-5-12-6-8(2)10(7)13-9(3)4-11/h5-6,9H,4,11H2,1-3H3,(H,12,13)
InChIKeyLFSUAVVBUIDOAV-UHFFFAOYSA-N
XLogP1.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(3,5-dimethyl-4-pyridinyl)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-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine?
The IUPAC name of 2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine (CID 83828100) is 2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine is Cc1cncc(C)c1NC(C)CN.
What is the InChIKey of 2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine?
The InChIKey is LFSUAVVBUIDOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-5-12-6-8(2)10(7)13-9(3)4-11/h5-6,9H,4,11H2,1-3H3,(H,12,13).
What are the key properties of 2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine?
2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine is sourced from PubChem (CID 83828100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).