(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol

C11H18N2O — CID 97051697

IUPAC(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
SMILESC[C@@H](CCCO)NCc1cccnc1
InChIInChI=1S/C11H18N2O/c1-10(4-3-7-14)13-9-11-5-2-6-12-8-11/h2,5-6,8,10,13-14H,3-4,7,9H2,1H3/t10-/m0/s1
InChIKeyHAVPDNXGWWBXGO-JTQLQIEISA-N
MW194.28 g/mol
LogP1.33
Rot. Bonds6

About (4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol

(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol (PubChem CID 97051697) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
PubChem CID97051697
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
SMILESC[C@@H](CCCO)NCc1cccnc1
InChIInChI=1S/C11H18N2O/c1-10(4-3-7-14)13-9-11-5-2-6-12-8-11/h2,5-6,8,10,13-14H,3-4,7,9H2,1H3/t10-/m0/s1
InChIKeyHAVPDNXGWWBXGO-JTQLQIEISA-N
XLogP1.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine
CID 116534120
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
4-(benzylamino)pentan-1-ol
CID 75356500
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea
CID 126801666
(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 97051534
4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 75356495
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol
CID 97051524
N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol?
The IUPAC name of (4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol (CID 97051697) is (4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol.
What is the SMILES notation for (4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol?
The canonical SMILES for (4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol is C[C@@H](CCCO)NCc1cccnc1.
What is the InChIKey of (4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol?
The InChIKey is HAVPDNXGWWBXGO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(4-3-7-14)13-9-11-5-2-6-12-8-11/h2,5-6,8,10,13-14H,3-4,7,9H2,1H3/t10-/m0/s1.
What are the key properties of (4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol?
(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 97051697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).