3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol

C12H20N2O — CID 112650240

IUPAC3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
SMILESCc1cccnc1CNC(CO)C(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)12(8-15)14-7-11-10(3)5-4-6-13-11/h4-6,9,12,14-15H,7-8H2,1-3H3
InChIKeyCIJGOMONMRLZMI-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.50
Rot. Bonds5

About 3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol

3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol (PubChem CID 112650240) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
PubChem CID112650240
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
SMILESCc1cccnc1CNC(CO)C(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)12(8-15)14-7-11-10(3)5-4-6-13-11/h4-6,9,12,14-15H,7-8H2,1-3H3
InChIKeyCIJGOMONMRLZMI-UHFFFAOYSA-N
XLogP1.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol
CID 65337637
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
1-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305633
(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 103954568
5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107706544
methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate
CID 79397097
N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
CID 63306295
1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111104369
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 63306075
5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 55204616
2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115614108

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol (CID 112650240) is 3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol is Cc1cccnc1CNC(CO)C(C)C.
What is the InChIKey of 3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol?
The InChIKey is CIJGOMONMRLZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)12(8-15)14-7-11-10(3)5-4-6-13-11/h4-6,9,12,14-15H,7-8H2,1-3H3.
What are the key properties of 3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol?
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol is sourced from PubChem (CID 112650240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).