2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol

C11H18N2O — CID 63934733

IUPAC2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol
SMILESCCC(C)(O)CNCc1cccnc1
InChIInChI=1S/C11H18N2O/c1-3-11(2,14)9-13-8-10-5-4-6-12-7-10/h4-7,13-14H,3,8-9H2,1-2H3
InChIKeyJRLWYPGTBAPHFZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.33
Rot. Bonds5

About 2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol

2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol (PubChem CID 63934733) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol
PubChem CID63934733
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol
SMILESCCC(C)(O)CNCc1cccnc1
InChIInChI=1S/C11H18N2O/c1-3-11(2,14)9-13-8-10-5-4-6-12-7-10/h4-7,13-14H,3,8-9H2,1-2H3
InChIKeyJRLWYPGTBAPHFZ-UHFFFAOYSA-N
XLogP1.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol
CID 111118943
3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol
CID 111470754
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
CID 114495365
1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol
CID 63680596
1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 63962764
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine
CID 102536371
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol?
The IUPAC name of 2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol (CID 63934733) is 2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol?
The canonical SMILES for 2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol is CCC(C)(O)CNCc1cccnc1.
What is the InChIKey of 2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol?
The InChIKey is JRLWYPGTBAPHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-11(2,14)9-13-8-10-5-4-6-12-7-10/h4-7,13-14H,3,8-9H2,1-2H3.
What are the key properties of 2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol?
2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol is sourced from PubChem (CID 63934733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).