2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol

C11H18N2O — CID 116945678

IUPAC2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)C(N)c1cccnc1
InChIInChI=1S/C11H18N2O/c1-8(2)10(7-14)11(12)9-4-3-5-13-6-9/h3-6,8,10-11,14H,7,12H2,1-2H3
InChIKeyORKUSDRMVPCELU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.35
Rot. Bonds4

About 2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol

2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol (PubChem CID 116945678) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol
PubChem CID116945678
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)C(N)c1cccnc1
InChIInChI=1S/C11H18N2O/c1-8(2)10(7-14)11(12)9-4-3-5-13-6-9/h3-6,8,10-11,14H,7,12H2,1-2H3
InChIKeyORKUSDRMVPCELU-UHFFFAOYSA-N
XLogP1.35
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2-amino-2-pyridin-3-ylethanol
CID 2734590
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
CID 130710949
2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302
2,2-dipyridin-3-ylethanol
CID 57450821
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
3-pyridin-3-ylbutan-1-ol
CID 23506282
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
2,2-diphenyl-1-pyridin-3-ylethanamine
CID 60923262
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729

Frequently Asked Questions

What is the IUPAC name of 2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol (CID 116945678) is 2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol is CC(C)C(CO)C(N)c1cccnc1.
What is the InChIKey of 2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol?
The InChIKey is ORKUSDRMVPCELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)10(7-14)11(12)9-4-3-5-13-6-9/h3-6,8,10-11,14H,7,12H2,1-2H3.
What are the key properties of 2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol?
2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116945678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).