3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol

C9H18N2O — CID 82358849

IUPAC3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol
SMILESNCC1C=CCCN1CCCO
InChIInChI=1S/C9H18N2O/c10-8-9-4-1-2-5-11(9)6-3-7-12/h1,4,9,12H,2-3,5-8,10H2
InChIKeyJKBZBCXLKPSGTO-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.04
Rot. Bonds4

About 3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol

3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol (PubChem CID 82358849) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol
PubChem CID82358849
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol
SMILESNCC1C=CCCN1CCCO
InChIInChI=1S/C9H18N2O/c10-8-9-4-1-2-5-11(9)6-3-7-12/h1,4,9,12H,2-3,5-8,10H2
InChIKeyJKBZBCXLKPSGTO-UHFFFAOYSA-N
XLogP-0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol?
The IUPAC name of 3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol (CID 82358849) is 3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol?
The canonical SMILES for 3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol is NCC1C=CCCN1CCCO.
What is the InChIKey of 3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol?
The InChIKey is JKBZBCXLKPSGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-8-9-4-1-2-5-11(9)6-3-7-12/h1,4,9,12H,2-3,5-8,10H2.
What are the key properties of 3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol?
3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol has a molecular weight of 170.26 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol is sourced from PubChem (CID 82358849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).