2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol

C14H24N2O — CID 134406101

IUPAC2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol
SMILESCCCN(Cc1ccc(C)nc1)CC(C)CO
InChIInChI=1S/C14H24N2O/c1-4-7-16(9-12(2)11-17)10-14-6-5-13(3)15-8-14/h5-6,8,12,17H,4,7,9-11H2,1-3H3
InChIKeyFAWKXAAPOJNLNZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.23
Rot. Bonds7

About 2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol

2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol (PubChem CID 134406101) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol
PubChem CID134406101
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol
SMILESCCCN(Cc1ccc(C)nc1)CC(C)CO
InChIInChI=1S/C14H24N2O/c1-4-7-16(9-12(2)11-17)10-14-6-5-13(3)15-8-14/h5-6,8,12,17H,4,7,9-11H2,1-3H3
InChIKeyFAWKXAAPOJNLNZ-UHFFFAOYSA-N
XLogP2.23
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol?
The IUPAC name of 2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol (CID 134406101) is 2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol is CCCN(Cc1ccc(C)nc1)CC(C)CO.
What is the InChIKey of 2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol?
The InChIKey is FAWKXAAPOJNLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-7-16(9-12(2)11-17)10-14-6-5-13(3)15-8-14/h5-6,8,12,17H,4,7,9-11H2,1-3H3.
What are the key properties of 2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol?
2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(6-methyl-3-pyridinyl)methyl-propylamino]propan-1-ol is sourced from PubChem (CID 134406101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).