4-(methylamino)-1-pyridin-3-ylbutan-1-ol

C10H16N2O — CID 4071159

IUPAC4-(methylamino)-1-pyridin-3-ylbutan-1-ol
SMILESCNCCCC(O)c1cccnc1
InChIInChI=1S/C10H16N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,10-11,13H,3,5-6H2,1H3
InChIKeyHGDXAKRZPVKQSZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.11
Rot. Bonds5

About 4-(methylamino)-1-pyridin-3-ylbutan-1-ol

4-(methylamino)-1-pyridin-3-ylbutan-1-ol (PubChem CID 4071159) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(methylamino)-1-pyridin-3-ylbutan-1-ol.

Molecular Properties

Compound Name4-(methylamino)-1-pyridin-3-ylbutan-1-ol
PubChem CID4071159
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(methylamino)-1-pyridin-3-ylbutan-1-ol
SMILESCNCCCC(O)c1cccnc1
InChIInChI=1S/C10H16N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,10-11,13H,3,5-6H2,1H3
InChIKeyHGDXAKRZPVKQSZ-UHFFFAOYSA-N
XLogP1.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-pyridin-3-ylbutan-1-ol?
The IUPAC name of 4-(methylamino)-1-pyridin-3-ylbutan-1-ol (CID 4071159) is 4-(methylamino)-1-pyridin-3-ylbutan-1-ol.
What is the SMILES notation for 4-(methylamino)-1-pyridin-3-ylbutan-1-ol?
The canonical SMILES for 4-(methylamino)-1-pyridin-3-ylbutan-1-ol is CNCCCC(O)c1cccnc1.
What is the InChIKey of 4-(methylamino)-1-pyridin-3-ylbutan-1-ol?
The InChIKey is HGDXAKRZPVKQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,10-11,13H,3,5-6H2,1H3.
What are the key properties of 4-(methylamino)-1-pyridin-3-ylbutan-1-ol?
4-(methylamino)-1-pyridin-3-ylbutan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-pyridin-3-ylbutan-1-ol is sourced from PubChem (CID 4071159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).