2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine

C16H30N4 — CID 25223449

IUPAC2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine
SMILESCCCCN(C)c1cc(N(C)CCCC)c(N)cc1N
InChIInChI=1S/C16H30N4/c1-5-7-9-19(3)15-12-16(14(18)11-13(15)17)20(4)10-8-6-2/h11-12H,5-10,17-18H2,1-4H3
InChIKeySOBYGTMKRHTMLZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.32
Rot. Bonds8

About 2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine

2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine (PubChem CID 25223449) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine
PubChem CID25223449
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine
SMILESCCCCN(C)c1cc(N(C)CCCC)c(N)cc1N
InChIInChI=1S/C16H30N4/c1-5-7-9-19(3)15-12-16(14(18)11-13(15)17)20(4)10-8-6-2/h11-12H,5-10,17-18H2,1-4H3
InChIKeySOBYGTMKRHTMLZ-UHFFFAOYSA-N
XLogP3.32
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine?
The IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine (CID 25223449) is 2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine.
What is the SMILES notation for 2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine?
The canonical SMILES for 2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine is CCCCN(C)c1cc(N(C)CCCC)c(N)cc1N.
What is the InChIKey of 2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine?
The InChIKey is SOBYGTMKRHTMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-7-9-19(3)15-12-16(14(18)11-13(15)17)20(4)10-8-6-2/h11-12H,5-10,17-18H2,1-4H3.
What are the key properties of 2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine?
2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine has a molecular weight of 278.44 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine is sourced from PubChem (CID 25223449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).