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

C12H21N3O — CID 66039863

IUPAC1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)Cc1cccnc1N
InChIInChI=1S/C12H21N3O/c1-3-6-14-9-12(2,16)8-10-5-4-7-15-11(10)13/h4-5,7,14,16H,3,6,8-9H2,1-2H3,(H2,13,15)
InChIKeyMFLNSDMXSJRHNW-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.96
Rot. Bonds6

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

1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol (PubChem CID 66039863) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol
PubChem CID66039863
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)Cc1cccnc1N
InChIInChI=1S/C12H21N3O/c1-3-6-14-9-12(2,16)8-10-5-4-7-15-11(10)13/h4-5,7,14,16H,3,6,8-9H2,1-2H3,(H2,13,15)
InChIKeyMFLNSDMXSJRHNW-UHFFFAOYSA-N
XLogP0.96
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
CID 66001095
2-methyl-1-(propylamino)-3-quinolin-8-yloxypropan-2-ol
CID 66335947
1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039856
1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 105375922
2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol
CID 103044573
5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol
CID 64718318
ethane;3-propylpyridin-2-amine
CID 176926436
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane
CID 162183420
2-(2-amino-3-pyridinyl)acetohydrazide;hydrochloride
CID 130616634
2-[(2-amino-3-pyridinyl)methylamino]ethanol
CID 82668213

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol (CID 66039863) is 1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol is CCCNCC(C)(O)Cc1cccnc1N.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol?
The InChIKey is MFLNSDMXSJRHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-6-14-9-12(2,16)8-10-5-4-7-15-11(10)13/h4-5,7,14,16H,3,6,8-9H2,1-2H3,(H2,13,15).
What are the key properties of 1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol?
1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol is sourced from PubChem (CID 66039863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).