4-amino-4-pyridin-3-ylbutan-1-ol

C9H14N2O — CID 85412290

IUPAC4-amino-4-pyridin-3-ylbutan-1-ol
SMILESNC(CCCO)c1cccnc1
InChIInChI=1S/C9H14N2O/c10-9(4-2-6-12)8-3-1-5-11-7-8/h1,3,5,7,9,12H,2,4,6,10H2
InChIKeyKGHCMNWTCFZSDK-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.85
Rot. Bonds4

About 4-amino-4-pyridin-3-ylbutan-1-ol

4-amino-4-pyridin-3-ylbutan-1-ol (PubChem CID 85412290) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-amino-4-pyridin-3-ylbutan-1-ol.

Molecular Properties

Compound Name4-amino-4-pyridin-3-ylbutan-1-ol
PubChem CID85412290
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-amino-4-pyridin-3-ylbutan-1-ol
SMILESNC(CCCO)c1cccnc1
InChIInChI=1S/C9H14N2O/c10-9(4-2-6-12)8-3-1-5-11-7-8/h1,3,5,7,9,12H,2,4,6,10H2
InChIKeyKGHCMNWTCFZSDK-UHFFFAOYSA-N
XLogP0.85
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
2-amino-2-pyridin-3-ylethanol
CID 2734590
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
(1S)-1-pyridin-3-ylpentane-1,5-diamine;hydrochloride
CID 171221036
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine
CID 21156680
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
methyl (5S)-5-amino-5-pyridin-3-ylpentanoate
CID 52951908
3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 62602759
4-methoxy-1-pyridin-3-ylpentan-1-amine
CID 105098535
3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol
CID 66114950

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-pyridin-3-ylbutan-1-ol?
The IUPAC name of 4-amino-4-pyridin-3-ylbutan-1-ol (CID 85412290) is 4-amino-4-pyridin-3-ylbutan-1-ol.
What is the SMILES notation for 4-amino-4-pyridin-3-ylbutan-1-ol?
The canonical SMILES for 4-amino-4-pyridin-3-ylbutan-1-ol is NC(CCCO)c1cccnc1.
What is the InChIKey of 4-amino-4-pyridin-3-ylbutan-1-ol?
The InChIKey is KGHCMNWTCFZSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-9(4-2-6-12)8-3-1-5-11-7-8/h1,3,5,7,9,12H,2,4,6,10H2.
What are the key properties of 4-amino-4-pyridin-3-ylbutan-1-ol?
4-amino-4-pyridin-3-ylbutan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-pyridin-3-ylbutan-1-ol is sourced from PubChem (CID 85412290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).