5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol

C12H20N2O — CID 81410455

IUPAC5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
SMILESC[C@H](NCCCCCO)c1ccncc1
InChIInChI=1S/C12H20N2O/c1-11(12-5-8-13-9-6-12)14-7-3-2-4-10-15/h5-6,8-9,11,14-15H,2-4,7,10H2,1H3/t11-/m0/s1
InChIKeyGJCAUOKSWWBSIU-NSHDSACASA-N
MW208.31 g/mol
LogP1.89
Rot. Bonds7

About 5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol

5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol (PubChem CID 81410455) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
PubChem CID81410455
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
SMILESC[C@H](NCCCCCO)c1ccncc1
InChIInChI=1S/C12H20N2O/c1-11(12-5-8-13-9-6-12)14-7-3-2-4-10-15/h5-6,8-9,11,14-15H,2-4,7,10H2,1H3/t11-/m0/s1
InChIKeyGJCAUOKSWWBSIU-NSHDSACASA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

Analyze 5-[[(1S)-1-pyridin-4-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

6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
CID 107703538
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
5-[[(1S)-1-(4-bromophenyl)ethyl]amino]pentan-1-ol
CID 81360207
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
CID 81410148
4-methylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 103088256
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine
CID 103882819
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol (CID 81410455) is 5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol is C[C@H](NCCCCCO)c1ccncc1.
What is the InChIKey of 5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol?
The InChIKey is GJCAUOKSWWBSIU-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(12-5-8-13-9-6-12)14-7-3-2-4-10-15/h5-6,8-9,11,14-15H,2-4,7,10H2,1H3/t11-/m0/s1.
What are the key properties of 5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol?
5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol is sourced from PubChem (CID 81410455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).