2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol

C14H18N2O — CID 84593641

IUPAC2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol
SMILESC#CCN(Cc1nc(C)ccc1O)CC1CC1
InChIInChI=1S/C14H18N2O/c1-3-8-16(9-12-5-6-12)10-13-14(17)7-4-11(2)15-13/h1,4,7,12,17H,5-6,8-10H2,2H3
InChIKeyVTJTYJXBEOBSRM-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.94
Rot. Bonds5

About 2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol

2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol (PubChem CID 84593641) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol
PubChem CID84593641
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol
SMILESC#CCN(Cc1nc(C)ccc1O)CC1CC1
InChIInChI=1S/C14H18N2O/c1-3-8-16(9-12-5-6-12)10-13-14(17)7-4-11(2)15-13/h1,4,7,12,17H,5-6,8-10H2,2H3
InChIKeyVTJTYJXBEOBSRM-UHFFFAOYSA-N
XLogP1.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-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

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol (CID 84593641) is 2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol is C#CCN(Cc1nc(C)ccc1O)CC1CC1.
What is the InChIKey of 2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is VTJTYJXBEOBSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-8-16(9-12-5-6-12)10-13-14(17)7-4-11(2)15-13/h1,4,7,12,17H,5-6,8-10H2,2H3.
What are the key properties of 2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol?
2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 230.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 84593641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).