1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol

C9H14N2O2 — CID 103449093

IUPAC1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol
SMILESCC(C)(O)C(O)c1cnccc1N
InChIInChI=1S/C9H14N2O2/c1-9(2,13)8(12)6-5-11-4-3-7(6)10/h3-5,8,12-13H,1-2H3,(H2,10,11)
InChIKeyITJNFCMUWPIUNG-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.47
Rot. Bonds2

About 1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol

1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol (PubChem CID 103449093) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol
PubChem CID103449093
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol
SMILESCC(C)(O)C(O)c1cnccc1N
InChIInChI=1S/C9H14N2O2/c1-9(2,13)8(12)6-5-11-4-3-7(6)10/h3-5,8,12-13H,1-2H3,(H2,10,11)
InChIKeyITJNFCMUWPIUNG-UHFFFAOYSA-N
XLogP0.47
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 79063613
1-(4-amino-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053794
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol
CID 107443196
3-(1-chloro-2-methylpropyl)pyridin-4-amine
CID 130480173
3-(1-hydrazinylethyl)pyridin-4-amine
CID 105201253
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol
CID 65092313
1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol
CID 103090078
1-(4-amino-3-pyridinyl)-2-phenylethanol
CID 54064798
2-(3-propan-2-yl-4-pyridinyl)propan-2-ol
CID 115008742
3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine
CID 116724573
1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
CID 103449230
2-methoxy-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 79197516

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol?
The IUPAC name of 1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol (CID 103449093) is 1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol is CC(C)(O)C(O)c1cnccc1N.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol?
The InChIKey is ITJNFCMUWPIUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,13)8(12)6-5-11-4-3-7(6)10/h3-5,8,12-13H,1-2H3,(H2,10,11).
What are the key properties of 1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol?
1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol has a molecular weight of 182.22 g/mol, XLogP of 0.47, 2 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-methylpropane-1,2-diol is sourced from PubChem (CID 103449093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).