3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol

C12H20N2O — CID 111470754

IUPAC3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol
SMILESCC(C)(CCO)CNCc1cccnc1
InChIInChI=1S/C12H20N2O/c1-12(2,5-7-15)10-14-9-11-4-3-6-13-8-11/h3-4,6,8,14-15H,5,7,9-10H2,1-2H3
InChIKeyHMIOOBQQOWNDKE-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.58
Rot. Bonds6

About 3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol

3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol (PubChem CID 111470754) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol
PubChem CID111470754
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol
SMILESCC(C)(CCO)CNCc1cccnc1
InChIInChI=1S/C12H20N2O/c1-12(2,5-7-15)10-14-9-11-4-3-6-13-8-11/h3-4,6,8,14-15H,5,7,9-10H2,1-2H3
InChIKeyHMIOOBQQOWNDKE-UHFFFAOYSA-N
XLogP1.58
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol
CID 103708150
2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 63934733
N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide
CID 103772608
2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol
CID 111118943
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 66227318
(2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol
CID 94252864
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
3,3-dimethyl-4-(2-pyridin-3-ylethylamino)butanoic acid
CID 115220433
1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol (CID 111470754) is 3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol is CC(C)(CCO)CNCc1cccnc1.
What is the InChIKey of 3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol?
The InChIKey is HMIOOBQQOWNDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,5-7-15)10-14-9-11-4-3-6-13-8-11/h3-4,6,8,14-15H,5,7,9-10H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol?
3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol is sourced from PubChem (CID 111470754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).