3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol

C12H18N2O2 — CID 116712449

IUPAC3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1cnccc1N)C1CC1
InChIInChI=1S/C12H18N2O2/c1-16-12(8-2-3-8)11(15)6-9-7-14-5-4-10(9)13/h4-5,7-8,11-12,15H,2-3,6H2,1H3,(H2,13,14)
InChIKeyYOVNDFLFQXVLKD-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.99
Rot. Bonds5

About 3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol

3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol (PubChem CID 116712449) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol.

Molecular Properties

Compound Name3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol
PubChem CID116712449
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1cnccc1N)C1CC1
InChIInChI=1S/C12H18N2O2/c1-16-12(8-2-3-8)11(15)6-9-7-14-5-4-10(9)13/h4-5,7-8,11-12,15H,2-3,6H2,1H3,(H2,13,14)
InChIKeyYOVNDFLFQXVLKD-UHFFFAOYSA-N
XLogP0.99
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756787
3-[2-(methylamino)-2-(4-propan-2-ylcyclohexyl)ethyl]pyridin-4-amine
CID 65425351
3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712466
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712602
1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one
CID 79617121
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
CID 103449230
1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986436
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712649
1-cyclopropyl-1,3-dimethoxypropan-2-ol
CID 116712579
3-[2-(ethylamino)-2-(3-ethylcyclopentyl)ethyl]pyridin-4-amine
CID 65409654
6-(4-amino-3-pyridinyl)-2-methylhexan-3-ol
CID 64515366

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol?
The IUPAC name of 3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol (CID 116712449) is 3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol.
What is the SMILES notation for 3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol?
The canonical SMILES for 3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol is COC(C(O)Cc1cnccc1N)C1CC1.
What is the InChIKey of 3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol?
The InChIKey is YOVNDFLFQXVLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-12(8-2-3-8)11(15)6-9-7-14-5-4-10(9)13/h4-5,7-8,11-12,15H,2-3,6H2,1H3,(H2,13,14).
What are the key properties of 3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol?
3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol has a molecular weight of 222.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol is sourced from PubChem (CID 116712449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).