2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol

C11H18N2O — CID 115665682

IUPAC2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
SMILESCC(CO)CN(C)Cc1ccncc1
InChIInChI=1S/C11H18N2O/c1-10(9-14)7-13(2)8-11-3-5-12-6-4-11/h3-6,10,14H,7-9H2,1-2H3
InChIKeyNYBRAERLCQBXST-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.14
Rot. Bonds5

About 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol

2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol (PubChem CID 115665682) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
PubChem CID115665682
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
SMILESCC(CO)CN(C)Cc1ccncc1
InChIInChI=1S/C11H18N2O/c1-10(9-14)7-13(2)8-11-3-5-12-6-4-11/h3-6,10,14H,7-9H2,1-2H3
InChIKeyNYBRAERLCQBXST-UHFFFAOYSA-N
XLogP1.14
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 43564094
N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62432012
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999
2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 115665641
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261
2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 115187356
1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104744827
2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 63069655
2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115665625
1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol
CID 110009104
methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate
CID 115123618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol (CID 115665682) is 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol is CC(CO)CN(C)Cc1ccncc1.
What is the InChIKey of 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol?
The InChIKey is NYBRAERLCQBXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(9-14)7-13(2)8-11-3-5-12-6-4-11/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol?
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 115665682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).