2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol

C11H18N2O — CID 164650292

IUPAC2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol
SMILESCC(C)(C)C(N)C(O)c1cccnc1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10(12)9(14)8-5-4-6-13-7-8/h4-7,9-10,14H,12H2,1-3H3
InChIKeyXGACUQCZMYBZCN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.49
Rot. Bonds2

About 2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol

2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol (PubChem CID 164650292) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol
PubChem CID164650292
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol
SMILESCC(C)(C)C(N)C(O)c1cccnc1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10(12)9(14)8-5-4-6-13-7-8/h4-7,9-10,14H,12H2,1-3H3
InChIKeyXGACUQCZMYBZCN-UHFFFAOYSA-N
XLogP1.49
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014
3-(3,3-dimethylbutan-2-yl)pyridine
CID 59751404
(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol
CID 124567765
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol
CID 83929772
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
CID 80522541
(E)-1-pyridin-3-ylpent-3-ene-1,2-diol
CID 130127875
(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
CID 130710949
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
amino(pyridin-3-yl)methanethiol
CID 116939546

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol?
The IUPAC name of 2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol (CID 164650292) is 2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol.
What is the SMILES notation for 2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol?
The canonical SMILES for 2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol is CC(C)(C)C(N)C(O)c1cccnc1.
What is the InChIKey of 2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol?
The InChIKey is XGACUQCZMYBZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)10(12)9(14)8-5-4-6-13-7-8/h4-7,9-10,14H,12H2,1-3H3.
What are the key properties of 2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol?
2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol is sourced from PubChem (CID 164650292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).