(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol

C10H16N2O — CID 55265043

IUPAC(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
SMILESCc1cccc([C@H](N)CCCO)n1
InChIInChI=1S/C10H16N2O/c1-8-4-2-6-10(12-8)9(11)5-3-7-13/h2,4,6,9,13H,3,5,7,11H2,1H3/t9-/m1/s1
InChIKeyYSMHWXLUHROMKC-SECBINFHSA-N
MW180.25 g/mol
LogP1.16
Rot. Bonds4

About (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol

(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol (PubChem CID 55265043) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
PubChem CID55265043
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
SMILESCc1cccc([C@H](N)CCCO)n1
InChIInChI=1S/C10H16N2O/c1-8-4-2-6-10(12-8)9(11)5-3-7-13/h2,4,6,9,13H,3,5,7,11H2,1H3/t9-/m1/s1
InChIKeyYSMHWXLUHROMKC-SECBINFHSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol?
The IUPAC name of (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol (CID 55265043) is (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol.
What is the SMILES notation for (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol?
The canonical SMILES for (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol is Cc1cccc([C@H](N)CCCO)n1.
What is the InChIKey of (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol?
The InChIKey is YSMHWXLUHROMKC-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-4-2-6-10(12-8)9(11)5-3-7-13/h2,4,6,9,13H,3,5,7,11H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol?
(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol is sourced from PubChem (CID 55265043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).