(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol

C15H26N2O — CID 114055796

IUPAC(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
SMILESCCCCN(CCCC)c1ncccc1[C@H](C)O
InChIInChI=1S/C15H26N2O/c1-4-6-11-17(12-7-5-2)15-14(13(3)18)9-8-10-16-15/h8-10,13,18H,4-7,11-12H2,1-3H3/t13-/m0/s1
InChIKeyMGCXOTAHYCOGHO-ZDUSSCGKSA-N
MW250.39 g/mol
LogP3.54
Rot. Bonds8

About (1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol

(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol (PubChem CID 114055796) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
PubChem CID114055796
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
SMILESCCCCN(CCCC)c1ncccc1[C@H](C)O
InChIInChI=1S/C15H26N2O/c1-4-6-11-17(12-7-5-2)15-14(13(3)18)9-8-10-16-15/h8-10,13,18H,4-7,11-12H2,1-3H3/t13-/m0/s1
InChIKeyMGCXOTAHYCOGHO-ZDUSSCGKSA-N
XLogP3.54
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[2-(dibutylamino)-3-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

Related Compounds

1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
CID 114055973
1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol
CID 114056156
(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol
CID 114056124
N,N-dibutyl-3-chloropyridin-2-amine
CID 135025261
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 114055963
3-[ethyl-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]amino]-2-methylpropanenitrile
CID 114055957
N,N-dibutyl-3-(methylaminomethyl)pyridin-2-amine
CID 62279311
2-[butyl-(3-propoxy-2-pyridinyl)amino]ethanol
CID 113371170
3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile
CID 114055969
(1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol
CID 114056244
(1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol
CID 114056189
(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol
CID 114243207

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol (CID 114055796) is (1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol is CCCCN(CCCC)c1ncccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol?
The InChIKey is MGCXOTAHYCOGHO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-6-11-17(12-7-5-2)15-14(13(3)18)9-8-10-16-15/h8-10,13,18H,4-7,11-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol?
(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol has a molecular weight of 250.39 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol is sourced from PubChem (CID 114055796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).