1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine

C16H28N2 — CID 102434501

IUPAC1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine
SMILESCCCCCCC(C)CNc1ccc(NC)cc1
InChIInChI=1S/C16H28N2/c1-4-5-6-7-8-14(2)13-18-16-11-9-15(17-3)10-12-16/h9-12,14,17-18H,4-8,13H2,1-3H3
InChIKeyGNEWMIZCRXGISL-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.75
Rot. Bonds9

About 1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine

1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine (PubChem CID 102434501) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine
PubChem CID102434501
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine
SMILESCCCCCCC(C)CNc1ccc(NC)cc1
InChIInChI=1S/C16H28N2/c1-4-5-6-7-8-14(2)13-18-16-11-9-15(17-3)10-12-16/h9-12,14,17-18H,4-8,13H2,1-3H3
InChIKeyGNEWMIZCRXGISL-UHFFFAOYSA-N
XLogP4.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-methyloctyl)aniline
CID 135385362
N-(2-methylpentyl)-4-propan-2-ylaniline
CID 43103738
2-ethenoxy-N,N'-bis[4-(2-methylundecyl)phenyl]propane-1,3-diamine
CID 91089363
4-(2-hydroxynonadecylamino)phenol
CID 162495059
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
N-methyl-4-nonadecylaniline
CID 175903606
4-hexadecyl-N-methylaniline
CID 22361119
1-N,2-N-diphenyldodecane-1,2-diamine
CID 10784226
N-iodo-2-methylundecan-1-amine
CID 163764943
N-(2-methyloctyl)hydroxylamine
CID 174230659
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine (CID 102434501) is 1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine is CCCCCCC(C)CNc1ccc(NC)cc1.
What is the InChIKey of 1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine?
The InChIKey is GNEWMIZCRXGISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-5-6-7-8-14(2)13-18-16-11-9-15(17-3)10-12-16/h9-12,14,17-18H,4-8,13H2,1-3H3.
What are the key properties of 1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine?
1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine is sourced from PubChem (CID 102434501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).