1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol

C9H16N2O — CID 54228281

IUPAC1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol
SMILESCC(O)CN1CC=CC=C1CN
InChIInChI=1S/C9H16N2O/c1-8(12)7-11-5-3-2-4-9(11)6-10/h2-4,8,12H,5-7,10H2,1H3
InChIKeyQHKCFHBVQYYCDJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.08
Rot. Bonds3

About 1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol

1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol (PubChem CID 54228281) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol
PubChem CID54228281
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol
SMILESCC(O)CN1CC=CC=C1CN
InChIInChI=1S/C9H16N2O/c1-8(12)7-11-5-3-2-4-9(11)6-10/h2-4,8,12H,5-7,10H2,1H3
InChIKeyQHKCFHBVQYYCDJ-UHFFFAOYSA-N
XLogP0.08
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol?
The IUPAC name of 1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol (CID 54228281) is 1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol?
The canonical SMILES for 1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol is CC(O)CN1CC=CC=C1CN.
What is the InChIKey of 1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol?
The InChIKey is QHKCFHBVQYYCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(12)7-11-5-3-2-4-9(11)6-10/h2-4,8,12H,5-7,10H2,1H3.
What are the key properties of 1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol?
1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol is sourced from PubChem (CID 54228281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).