1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine

C16H28N2O — CID 115203955

IUPAC1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine
SMILESCOc1cc(C)cc(C)c1CN(C)CCCC(C)N
InChIInChI=1S/C16H28N2O/c1-12-9-13(2)15(16(10-12)19-5)11-18(4)8-6-7-14(3)17/h9-10,14H,6-8,11,17H2,1-5H3
InChIKeyVHEFKVDKVLUAKP-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.87
Rot. Bonds7

About 1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine

1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine (PubChem CID 115203955) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine
PubChem CID115203955
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine
SMILESCOc1cc(C)cc(C)c1CN(C)CCCC(C)N
InChIInChI=1S/C16H28N2O/c1-12-9-13(2)15(16(10-12)19-5)11-18(4)8-6-7-14(3)17/h9-10,14H,6-8,11,17H2,1-5H3
InChIKeyVHEFKVDKVLUAKP-UHFFFAOYSA-N
XLogP2.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxy-4,6-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231844
1-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199401
1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199192
1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199468
N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201544
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide
CID 115156719
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide
CID 115191999
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine
CID 115203619
(2-methoxy-4,6-dimethylphenyl)methyl-methylcyanamide
CID 117043386
1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203758
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199383

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine (CID 115203955) is 1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine is COc1cc(C)cc(C)c1CN(C)CCCC(C)N.
What is the InChIKey of 1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine?
The InChIKey is VHEFKVDKVLUAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-9-13(2)15(16(10-12)19-5)11-18(4)8-6-7-14(3)17/h9-10,14H,6-8,11,17H2,1-5H3.
What are the key properties of 1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine?
1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 115203955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).