4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol

C10H16N2O — CID 81319366

IUPAC4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol
SMILESCc1ccc(C(CN)CCO)nc1
InChIInChI=1S/C10H16N2O/c1-8-2-3-10(12-7-8)9(6-11)4-5-13/h2-3,7,9,13H,4-6,11H2,1H3
InChIKeyJHINKLLUAQHRPV-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.81
Rot. Bonds4

About 4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol

4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol (PubChem CID 81319366) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol
PubChem CID81319366
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol
SMILESCc1ccc(C(CN)CCO)nc1
InChIInChI=1S/C10H16N2O/c1-8-2-3-10(12-7-8)9(6-11)4-5-13/h2-3,7,9,13H,4-6,11H2,1H3
InChIKeyJHINKLLUAQHRPV-UHFFFAOYSA-N
XLogP0.81
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-quinolin-2-ylbutan-1-ol
CID 66089092
1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride
CID 127263938
4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-amine
CID 63197672
5-methyl-2-pentan-2-ylpyridine
CID 121401028
(1S)-1-(5-methyl-2-pyridinyl)pentan-1-amine
CID 55275982
ethane;5-methyl-2-propan-2-ylpyridine
CID 178109062
4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114938817
2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol
CID 81320392
2-(5-methyl-2-pyridinyl)propanamide
CID 67185954
2-(5-methyl-2-pyridinyl)-5-oxohexanamide
CID 174310959
2-(1-fluoroethyl)-5-methylpyridine
CID 126491448
2-(5-methyl-2-pyridinyl)ethanol
CID 14546495

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol?
The IUPAC name of 4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol (CID 81319366) is 4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol.
What is the SMILES notation for 4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol?
The canonical SMILES for 4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol is Cc1ccc(C(CN)CCO)nc1.
What is the InChIKey of 4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol?
The InChIKey is JHINKLLUAQHRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-2-3-10(12-7-8)9(6-11)4-5-13/h2-3,7,9,13H,4-6,11H2,1H3.
What are the key properties of 4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol?
4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol is sourced from PubChem (CID 81319366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).