1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol

C12H20N2O — CID 104735827

IUPAC1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol
SMILESCC(C)(C)C(O)(CN)Cc1cccnc1
InChIInChI=1S/C12H20N2O/c1-11(2,3)12(15,9-13)7-10-5-4-6-14-8-10/h4-6,8,15H,7,9,13H2,1-3H3
InChIKeyAXKNVIIRSVCBKC-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.36
Rot. Bonds3

About 1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol

1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol (PubChem CID 104735827) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol
PubChem CID104735827
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol
SMILESCC(C)(C)C(O)(CN)Cc1cccnc1
InChIInChI=1S/C12H20N2O/c1-11(2,3)12(15,9-13)7-10-5-4-6-14-8-10/h4-6,8,15H,7,9,13H2,1-3H3
InChIKeyAXKNVIIRSVCBKC-UHFFFAOYSA-N
XLogP1.36
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
2-fluoro-2-(pyridin-3-ylmethyl)pentan-1-amine
CID 104737462
2-cyclopropyl-1-pyridin-3-ylpropan-2-ol
CID 104735640
2-fluoro-3-methyl-2-(pyridin-3-ylmethyl)butan-1-amine
CID 104737459
1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol
CID 104735758
1,1,2-tripyridin-3-ylethanol
CID 57425683
4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine
CID 174709690
2-cyclohexyl-1-pyridin-3-ylpropan-2-ol
CID 114795036
2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine
CID 117048430
(2S)-2-methyl-2-naphthalen-2-yl-3-pyridin-3-ylpropan-1-amine
CID 118675585

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol?
The IUPAC name of 1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol (CID 104735827) is 1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol.
What is the SMILES notation for 1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol?
The canonical SMILES for 1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol is CC(C)(C)C(O)(CN)Cc1cccnc1.
What is the InChIKey of 1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol?
The InChIKey is AXKNVIIRSVCBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(2,3)12(15,9-13)7-10-5-4-6-14-8-10/h4-6,8,15H,7,9,13H2,1-3H3.
What are the key properties of 1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol?
1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol has a molecular weight of 208.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol is sourced from PubChem (CID 104735827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).