N-(pyridin-3-ylmethyl)propan-2-amine

C9H14N2 — CID 3816145

IUPACN-(pyridin-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cccnc1
InChIInChI=1S/C9H14N2/c1-8(2)11-7-9-4-3-5-10-6-9/h3-6,8,11H,7H2,1-2H3
InChIKeyCRYXHQBSIQUCFG-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.58
Rot. Bonds3

About N-(pyridin-3-ylmethyl)propan-2-amine

N-(pyridin-3-ylmethyl)propan-2-amine (PubChem CID 3816145) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)propan-2-amine
PubChem CID3816145
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-(pyridin-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cccnc1
InChIInChI=1S/C9H14N2/c1-8(2)11-7-9-4-3-5-10-6-9/h3-6,8,11H,7H2,1-2H3
InChIKeyCRYXHQBSIQUCFG-UHFFFAOYSA-N
XLogP1.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.58
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)propan-2-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)propan-2-amine (CID 3816145) is N-(pyridin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)propan-2-amine is CC(C)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)propan-2-amine?
The InChIKey is CRYXHQBSIQUCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8(2)11-7-9-4-3-5-10-6-9/h3-6,8,11H,7H2,1-2H3.
What are the key properties of N-(pyridin-3-ylmethyl)propan-2-amine?
N-(pyridin-3-ylmethyl)propan-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.58, 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)propan-2-amine is sourced from PubChem (CID 3816145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).