3-(6-methyl-2H-pyridin-1-yl)propan-1-amine

C9H16N2 — CID 19899440

IUPAC3-(6-methyl-2H-pyridin-1-yl)propan-1-amine
SMILESCC1=CC=CCN1CCCN
InChIInChI=1S/C9H16N2/c1-9-5-2-3-7-11(9)8-4-6-10/h2-3,5H,4,6-8,10H2,1H3
InChIKeyWLCUZSOHWGGFDL-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.11
Rot. Bonds3

About 3-(6-methyl-2H-pyridin-1-yl)propan-1-amine

3-(6-methyl-2H-pyridin-1-yl)propan-1-amine (PubChem CID 19899440) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-(6-methyl-2H-pyridin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-methyl-2H-pyridin-1-yl)propan-1-amine
PubChem CID19899440
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-(6-methyl-2H-pyridin-1-yl)propan-1-amine
SMILESCC1=CC=CCN1CCCN
InChIInChI=1S/C9H16N2/c1-9-5-2-3-7-11(9)8-4-6-10/h2-3,5H,4,6-8,10H2,1H3
InChIKeyWLCUZSOHWGGFDL-UHFFFAOYSA-N
XLogP1.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2H-pyridin-1-yl)propan-1-amine?
The IUPAC name of 3-(6-methyl-2H-pyridin-1-yl)propan-1-amine (CID 19899440) is 3-(6-methyl-2H-pyridin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(6-methyl-2H-pyridin-1-yl)propan-1-amine?
The canonical SMILES for 3-(6-methyl-2H-pyridin-1-yl)propan-1-amine is CC1=CC=CCN1CCCN.
What is the InChIKey of 3-(6-methyl-2H-pyridin-1-yl)propan-1-amine?
The InChIKey is WLCUZSOHWGGFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9-5-2-3-7-11(9)8-4-6-10/h2-3,5H,4,6-8,10H2,1H3.
What are the key properties of 3-(6-methyl-2H-pyridin-1-yl)propan-1-amine?
3-(6-methyl-2H-pyridin-1-yl)propan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2H-pyridin-1-yl)propan-1-amine is sourced from PubChem (CID 19899440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).