2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol

C15H27N3O — CID 103182226

IUPAC2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1ncc(C)c(N)c1C
InChIInChI=1S/C15H27N3O/c1-5-13(6-2)18(7-8-19)10-14-12(4)15(16)11(3)9-17-14/h9,13,19H,5-8,10H2,1-4H3,(H2,16,17)
InChIKeyPLGQDSVLOJUABM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.26
Rot. Bonds7

About 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol

2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol (PubChem CID 103182226) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol
PubChem CID103182226
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1ncc(C)c(N)c1C
InChIInChI=1S/C15H27N3O/c1-5-13(6-2)18(7-8-19)10-14-12(4)15(16)11(3)9-17-14/h9,13,19H,5-8,10H2,1-4H3,(H2,16,17)
InChIKeyPLGQDSVLOJUABM-UHFFFAOYSA-N
XLogP2.26
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol 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-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol (CID 103182226) is 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)Cc1ncc(C)c(N)c1C.
What is the InChIKey of 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol?
The InChIKey is PLGQDSVLOJUABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-13(6-2)18(7-8-19)10-14-12(4)15(16)11(3)9-17-14/h9,13,19H,5-8,10H2,1-4H3,(H2,16,17).
What are the key properties of 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol?
2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol has a molecular weight of 265.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 103182226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).