1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol

C13H22N2O — CID 80523424

IUPAC1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol
SMILESCC(C)C(C)C(O)C(CN)c1cccnc1
InChIInChI=1S/C13H22N2O/c1-9(2)10(3)13(16)12(7-14)11-5-4-6-15-8-11/h4-6,8-10,12-13,16H,7,14H2,1-3H3
InChIKeyMFEQOHPJIMSBEP-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.78
Rot. Bonds5

About 1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol

1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol (PubChem CID 80523424) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol.

Molecular Properties

Compound Name1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol
PubChem CID80523424
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol
SMILESCC(C)C(C)C(O)C(CN)c1cccnc1
InChIInChI=1S/C13H22N2O/c1-9(2)10(3)13(16)12(7-14)11-5-4-6-15-8-11/h4-6,8-10,12-13,16H,7,14H2,1-3H3
InChIKeyMFEQOHPJIMSBEP-UHFFFAOYSA-N
XLogP1.78
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-amino-4-cyclopropyl-2-pyridin-3-ylpentan-3-ol
CID 83149883
1-amino-2-pyridin-3-ylpentan-3-ol
CID 80523388
3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
CID 80522541
1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol
CID 65190542
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
CID 80525679
2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine
CID 83929792
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523261
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
3-methyl-1-pyridin-3-ylbutane-1,4-diamine
CID 116934246
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848

Frequently Asked Questions

What is the IUPAC name of 1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol?
The IUPAC name of 1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol (CID 80523424) is 1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol.
What is the SMILES notation for 1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol?
The canonical SMILES for 1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol is CC(C)C(C)C(O)C(CN)c1cccnc1.
What is the InChIKey of 1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol?
The InChIKey is MFEQOHPJIMSBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)10(3)13(16)12(7-14)11-5-4-6-15-8-11/h4-6,8-10,12-13,16H,7,14H2,1-3H3.
What are the key properties of 1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol?
1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol has a molecular weight of 222.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol is sourced from PubChem (CID 80523424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).