3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol

C9H14N2O — CID 130153201

IUPAC3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
SMILESCc1ccnc(C(O)CCN)c1
InChIInChI=1S/C9H14N2O/c1-7-3-5-11-8(6-7)9(12)2-4-10/h3,5-6,9,12H,2,4,10H2,1H3
InChIKeyNXKVWYIJDNFJMT-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.77
Rot. Bonds3

About 3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol

3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol (PubChem CID 130153201) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
PubChem CID130153201
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
SMILESCc1ccnc(C(O)CCN)c1
InChIInChI=1S/C9H14N2O/c1-7-3-5-11-8(6-7)9(12)2-4-10/h3,5-6,9,12H,2,4,10H2,1H3
InChIKeyNXKVWYIJDNFJMT-UHFFFAOYSA-N
XLogP0.77
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-methyl-2-pyridinyl)ethanol;dihydrochloride
CID 71742337
1-(4-methyl-2-pyridinyl)tridecan-1-ol
CID 63840083
2-(methylamino)-1-(4-methyl-2-pyridinyl)ethanol
CID 82597131
(1S)-1-(4-methyl-2-pyridinyl)ethanol
CID 64712746
2-(4-methyl-2-pyridinyl)propan-1-amine
CID 82594772
ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate
CID 90379419
1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 55257533
4,4-dimethyl-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 63840384
3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 103008136
4-methyl-3-(4-methyl-2-pyridinyl)pentan-2-ol
CID 63200160
(1S)-3-amino-1-pyrazin-2-ylpropan-1-ol
CID 96734232
2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid
CID 170823470

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol (CID 130153201) is 3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol is Cc1ccnc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol?
The InChIKey is NXKVWYIJDNFJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-3-5-11-8(6-7)9(12)2-4-10/h3,5-6,9,12H,2,4,10H2,1H3.
What are the key properties of 3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol?
3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 130153201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).