4-N-(cyclopropylmethyl)pyridine-3,4-diamine

C9H13N3 — CID 28902438

IUPAC4-N-(cyclopropylmethyl)pyridine-3,4-diamine
SMILESNc1cnccc1NCC1CC1
InChIInChI=1S/C9H13N3/c10-8-6-11-4-3-9(8)12-5-7-1-2-7/h3-4,6-7H,1-2,5,10H2,(H,11,12)
InChIKeyYQYUTDYRFPKXTM-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.49
Rot. Bonds3

About 4-N-(cyclopropylmethyl)pyridine-3,4-diamine

4-N-(cyclopropylmethyl)pyridine-3,4-diamine (PubChem CID 28902438) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)pyridine-3,4-diamine
PubChem CID28902438
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-N-(cyclopropylmethyl)pyridine-3,4-diamine
SMILESNc1cnccc1NCC1CC1
InChIInChI=1S/C9H13N3/c10-8-6-11-4-3-9(8)12-5-7-1-2-7/h3-4,6-7H,1-2,5,10H2,(H,11,12)
InChIKeyYQYUTDYRFPKXTM-UHFFFAOYSA-N
XLogP1.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)pyridine-3,4-diamine (CID 28902438) is 4-N-(cyclopropylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)pyridine-3,4-diamine is Nc1cnccc1NCC1CC1.
What is the InChIKey of 4-N-(cyclopropylmethyl)pyridine-3,4-diamine?
The InChIKey is YQYUTDYRFPKXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-8-6-11-4-3-9(8)12-5-7-1-2-7/h3-4,6-7H,1-2,5,10H2,(H,11,12).
What are the key properties of 4-N-(cyclopropylmethyl)pyridine-3,4-diamine?
4-N-(cyclopropylmethyl)pyridine-3,4-diamine has a molecular weight of 163.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 28902438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).