N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine

C16H28N2O — CID 115202067

IUPACN'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)Cc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C16H28N2O/c1-13-10-15(11-14(2)16(13)19-5)12-18(4)9-7-6-8-17-3/h10-11,17H,6-9,12H2,1-5H3
InChIKeyVFQHTWJHZKVLHR-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.74
Rot. Bonds8

About N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine

N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine (PubChem CID 115202067) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
PubChem CID115202067
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)Cc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C16H28N2O/c1-13-10-15(11-14(2)16(13)19-5)12-18(4)9-7-6-8-17-3/h10-11,17H,6-9,12H2,1-5H3
InChIKeyVFQHTWJHZKVLHR-UHFFFAOYSA-N
XLogP2.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227089
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine
CID 56549576
N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202005
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
CID 102877835
N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 115197907
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888
N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843594
N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
CID 115197901

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine (CID 115202067) is N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine is CNCCCCN(C)Cc1cc(C)c(OC)c(C)c1.
What is the InChIKey of N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is VFQHTWJHZKVLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-10-15(11-14(2)16(13)19-5)12-18(4)9-7-6-8-17-3/h10-11,17H,6-9,12H2,1-5H3.
What are the key properties of N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine?
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115202067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).