1-amino-2-pyridin-3-ylpentan-3-ol

C10H16N2O — CID 80523388

IUPAC1-amino-2-pyridin-3-ylpentan-3-ol
SMILESCCC(O)C(CN)c1cccnc1
InChIInChI=1S/C10H16N2O/c1-2-10(13)9(6-11)8-4-3-5-12-7-8/h3-5,7,9-10,13H,2,6,11H2,1H3
InChIKeyLZCMBJWSMWKQGP-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.89
Rot. Bonds4

About 1-amino-2-pyridin-3-ylpentan-3-ol

1-amino-2-pyridin-3-ylpentan-3-ol (PubChem CID 80523388) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-amino-2-pyridin-3-ylpentan-3-ol.

Molecular Properties

Compound Name1-amino-2-pyridin-3-ylpentan-3-ol
PubChem CID80523388
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-amino-2-pyridin-3-ylpentan-3-ol
SMILESCCC(O)C(CN)c1cccnc1
InChIInChI=1S/C10H16N2O/c1-2-10(13)9(6-11)8-4-3-5-12-7-8/h3-5,7,9-10,13H,2,6,11H2,1H3
InChIKeyLZCMBJWSMWKQGP-UHFFFAOYSA-N
XLogP0.89
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
CID 130710949
1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol
CID 80523424
3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
CID 80525679
3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
CID 80522541
1-amino-4-cyclopropyl-2-pyridin-3-ylpentan-3-ol
CID 83149883
4-phenyl-2-pyridin-3-ylbutane-1,3-diamine
CID 20848340
3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523261
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine
CID 43125913
ethyl 3-pyridin-3-ylpentanoate
CID 171747994
ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
CID 19697901

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-pyridin-3-ylpentan-3-ol?
The IUPAC name of 1-amino-2-pyridin-3-ylpentan-3-ol (CID 80523388) is 1-amino-2-pyridin-3-ylpentan-3-ol.
What is the SMILES notation for 1-amino-2-pyridin-3-ylpentan-3-ol?
The canonical SMILES for 1-amino-2-pyridin-3-ylpentan-3-ol is CCC(O)C(CN)c1cccnc1.
What is the InChIKey of 1-amino-2-pyridin-3-ylpentan-3-ol?
The InChIKey is LZCMBJWSMWKQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-10(13)9(6-11)8-4-3-5-12-7-8/h3-5,7,9-10,13H,2,6,11H2,1H3.
What are the key properties of 1-amino-2-pyridin-3-ylpentan-3-ol?
1-amino-2-pyridin-3-ylpentan-3-ol has a molecular weight of 180.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-pyridin-3-ylpentan-3-ol is sourced from PubChem (CID 80523388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).