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

C10H17N3O — CID 66037455

IUPAC1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol
SMILESCNCC(C)(O)Cc1cnccc1N
InChIInChI=1S/C10H17N3O/c1-10(14,7-12-2)5-8-6-13-4-3-9(8)11/h3-4,6,12,14H,5,7H2,1-2H3,(H2,11,13)
InChIKeyVGLZUKMSGQHHAN-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.18
Rot. Bonds4

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

1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol (PubChem CID 66037455) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol
PubChem CID66037455
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol
SMILESCNCC(C)(O)Cc1cnccc1N
InChIInChI=1S/C10H17N3O/c1-10(14,7-12-2)5-8-6-13-4-3-9(8)11/h3-4,6,12,14H,5,7H2,1-2H3,(H2,11,13)
InChIKeyVGLZUKMSGQHHAN-UHFFFAOYSA-N
XLogP0.18
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3-pyridinyl)-2-cyclohexylpropan-2-ol
CID 114794811
1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
CID 103449230
3-(4-methoxy-4-methylpentyl)pyridin-4-amine
CID 103037376
3-(bromomethyl)pyridin-4-amine
CID 18674607
1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588569
4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one
CID 116608441
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
4-(4-amino-3-pyridinyl)butan-2-one
CID 64522504
3-amino-1-(4-amino-3-pyridinyl)-3-cyclopropylbutan-2-one
CID 116558468
1-(4-amino-3-pyridinyl)-3-methoxy-3-methylpentan-2-one
CID 116746767
1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol
CID 66039362
3-[(2-methylanilino)methyl]pyridin-4-amine
CID 105466959

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol (CID 66037455) is 1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol is CNCC(C)(O)Cc1cnccc1N.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol?
The InChIKey is VGLZUKMSGQHHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(14,7-12-2)5-8-6-13-4-3-9(8)11/h3-4,6,12,14H,5,7H2,1-2H3,(H2,11,13).
What are the key properties of 1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol?
1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol has a molecular weight of 195.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol is sourced from PubChem (CID 66037455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).