(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol

C12H20N2O — CID 97051673

IUPAC(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
SMILESC[C@H](N[C@@H](C)CCCO)c1cccnc1
InChIInChI=1S/C12H20N2O/c1-10(5-4-8-15)14-11(2)12-6-3-7-13-9-12/h3,6-7,9-11,14-15H,4-5,8H2,1-2H3/t10-,11-/m0/s1
InChIKeyWFUSCVWWWQGQEY-QWRGUYRKSA-N
MW208.31 g/mol
LogP1.89
Rot. Bonds6

About (4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol

(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol (PubChem CID 97051673) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
PubChem CID97051673
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
SMILESC[C@H](N[C@@H](C)CCCO)c1cccnc1
InChIInChI=1S/C12H20N2O/c1-10(5-4-8-15)14-11(2)12-6-3-7-13-9-12/h3,6-7,9-11,14-15H,4-5,8H2,1-2H3/t10-,11-/m0/s1
InChIKeyWFUSCVWWWQGQEY-QWRGUYRKSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-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

N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097
(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol
CID 97051530
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine
CID 104583908
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
4-amino-4-pyridin-3-ylbutan-1-ol
CID 85412290
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729
N-(1-phenylethyl)-5-pyridin-3-ylpentan-2-amine
CID 70358697
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol?
The IUPAC name of (4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol (CID 97051673) is (4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol.
What is the SMILES notation for (4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol?
The canonical SMILES for (4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol is C[C@H](N[C@@H](C)CCCO)c1cccnc1.
What is the InChIKey of (4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol?
The InChIKey is WFUSCVWWWQGQEY-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(5-4-8-15)14-11(2)12-6-3-7-13-9-12/h3,6-7,9-11,14-15H,4-5,8H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol?
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol is sourced from PubChem (CID 97051673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).