N-(pyridin-3-ylmethyl)cyclopropanamine

C9H12N2 — CID 1132862

IUPACN-(pyridin-3-ylmethyl)cyclopropanamine
SMILESc1cncc(CNC2CC2)c1
InChIInChI=1S/C9H12N2/c1-2-8(6-10-5-1)7-11-9-3-4-9/h1-2,5-6,9,11H,3-4,7H2
InChIKeyBZFHAPIXJIHOOF-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.33
Rot. Bonds3

About N-(pyridin-3-ylmethyl)cyclopropanamine

N-(pyridin-3-ylmethyl)cyclopropanamine (PubChem CID 1132862) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)cyclopropanamine
PubChem CID1132862
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-(pyridin-3-ylmethyl)cyclopropanamine
SMILESc1cncc(CNC2CC2)c1
InChIInChI=1S/C9H12N2/c1-2-8(6-10-5-1)7-11-9-3-4-9/h1-2,5-6,9,11H,3-4,7H2
InChIKeyBZFHAPIXJIHOOF-UHFFFAOYSA-N
XLogP1.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-(pyridin-3-ylmethyl)cyclopropanamine (CID 1132862) is N-(pyridin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(pyridin-3-ylmethyl)cyclopropanamine is c1cncc(CNC2CC2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)cyclopropanamine?
The InChIKey is BZFHAPIXJIHOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-8(6-10-5-1)7-11-9-3-4-9/h1-2,5-6,9,11H,3-4,7H2.
What are the key properties of N-(pyridin-3-ylmethyl)cyclopropanamine?
N-(pyridin-3-ylmethyl)cyclopropanamine has a molecular weight of 148.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 1132862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).