N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine

C14H25N3O — CID 54991612

IUPACN'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine
SMILESCOc1c(C)cnc(CN(C)CC(C)CN)c1C
InChIInChI=1S/C14H25N3O/c1-10(6-15)8-17(4)9-13-12(3)14(18-5)11(2)7-16-13/h7,10H,6,8-9,15H2,1-5H3
InChIKeyXHNHGUMXLUQKTR-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.73
Rot. Bonds6

About N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine

N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine (PubChem CID 54991612) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine
PubChem CID54991612
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine
SMILESCOc1c(C)cnc(CN(C)CC(C)CN)c1C
InChIInChI=1S/C14H25N3O/c1-10(6-15)8-17(4)9-13-12(3)14(18-5)11(2)7-16-13/h7,10H,6,8-9,15H2,1-5H3
InChIKeyXHNHGUMXLUQKTR-UHFFFAOYSA-N
XLogP1.73
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007839
1-(azetidin-1-yl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-3-methylbutan-1-one
CID 90685122
3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225867
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198678
N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide
CID 76928126
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 62505902
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfonyl]propan-1-amine
CID 81187622
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139283
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63065383
1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine
CID 62006915
(2R)-1-[4-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95757646
(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316114

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine (CID 54991612) is N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine is COc1c(C)cnc(CN(C)CC(C)CN)c1C.
What is the InChIKey of N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The InChIKey is XHNHGUMXLUQKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(6-15)8-17(4)9-13-12(3)14(18-5)11(2)7-16-13/h7,10H,6,8-9,15H2,1-5H3.
What are the key properties of N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine?
N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine has a molecular weight of 251.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 54991612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).