1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine

C16H28N2 — CID 18699513

IUPAC1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCCCN(C)c1ccc(N(C)CCCC)cc1
InChIInChI=1S/C16H28N2/c1-5-7-13-17(3)15-9-11-16(12-10-15)18(4)14-8-6-2/h9-12H,5-8,13-14H2,1-4H3
InChIKeyFXMVYNGAZFJNQY-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.16
Rot. Bonds8

About 1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine

1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 18699513) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID18699513
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCCCN(C)c1ccc(N(C)CCCC)cc1
InChIInChI=1S/C16H28N2/c1-5-7-13-17(3)15-9-11-16(12-10-15)18(4)14-8-6-2/h9-12H,5-8,13-14H2,1-4H3
InChIKeyFXMVYNGAZFJNQY-UHFFFAOYSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-fluoro-N-methylaniline
CID 70573878
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
N,4-dibutyl-N-methylaniline
CID 118183375
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960
N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline
CID 67935384
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
N-heptyl-N-methylaniline
CID 54015540
4-N-butyl-4-N-methylbenzene-1,2,4-triamine
CID 106750191
4-[methyl(pentyl)amino]benzaldehyde
CID 43295080
4-[methyl(pentyl)amino]benzonitrile
CID 43295094
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine (CID 18699513) is 1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine is CCCCN(C)c1ccc(N(C)CCCC)cc1.
What is the InChIKey of 1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is FXMVYNGAZFJNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-7-13-17(3)15-9-11-16(12-10-15)18(4)14-8-6-2/h9-12H,5-8,13-14H2,1-4H3.
What are the key properties of 1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine?
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 18699513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).