1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine

C9H13N3 — CID 60875096

IUPAC1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine
SMILESCc1cccc(NC2CC2N)n1
InChIInChI=1S/C9H13N3/c1-6-3-2-4-9(11-6)12-8-5-7(8)10/h2-4,7-8H,5,10H2,1H3,(H,11,12)
InChIKeyGCVMGVYAIWEDHN-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.90
Rot. Bonds2

About 1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine

1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine (PubChem CID 60875096) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine
PubChem CID60875096
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine
SMILESCc1cccc(NC2CC2N)n1
InChIInChI=1S/C9H13N3/c1-6-3-2-4-9(11-6)12-8-5-7(8)10/h2-4,7-8H,5,10H2,1H3,(H,11,12)
InChIKeyGCVMGVYAIWEDHN-UHFFFAOYSA-N
XLogP0.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine?
The IUPAC name of 1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine (CID 60875096) is 1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine.
What is the SMILES notation for 1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine?
The canonical SMILES for 1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine is Cc1cccc(NC2CC2N)n1.
What is the InChIKey of 1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine?
The InChIKey is GCVMGVYAIWEDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-3-2-4-9(11-6)12-8-5-7(8)10/h2-4,7-8H,5,10H2,1H3,(H,11,12).
What are the key properties of 1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine?
1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine has a molecular weight of 163.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine is sourced from PubChem (CID 60875096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).