(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol

C14H25N3O — CID 83132568

IUPAC(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol
SMILESCCCN(CCN(C)C)c1ccc([C@H](C)O)nc1
InChIInChI=1S/C14H25N3O/c1-5-8-17(10-9-16(3)4)13-6-7-14(12(2)18)15-11-13/h6-7,11-12,18H,5,8-10H2,1-4H3/t12-/m0/s1
InChIKeyVCLXCDDCOMYOTG-LBPRGKRZSA-N
MW251.37 g/mol
LogP1.91
Rot. Bonds7

About (1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol

(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol (PubChem CID 83132568) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol
PubChem CID83132568
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol
SMILESCCCN(CCN(C)C)c1ccc([C@H](C)O)nc1
InChIInChI=1S/C14H25N3O/c1-5-8-17(10-9-16(3)4)13-6-7-14(12(2)18)15-11-13/h6-7,11-12,18H,5,8-10H2,1-4H3/t12-/m0/s1
InChIKeyVCLXCDDCOMYOTG-LBPRGKRZSA-N
XLogP1.91
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]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 (1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol (CID 83132568) is (1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol is CCCN(CCN(C)C)c1ccc([C@H](C)O)nc1.
What is the InChIKey of (1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol?
The InChIKey is VCLXCDDCOMYOTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-8-17(10-9-16(3)4)13-6-7-14(12(2)18)15-11-13/h6-7,11-12,18H,5,8-10H2,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol?
(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol has a molecular weight of 251.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83132568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).