3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine

C15H26N2 — CID 63076761

IUPAC3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine
SMILESCCC(CC)CN(CC)c1cccc(N)c1C
InChIInChI=1S/C15H26N2/c1-5-13(6-2)11-17(7-3)15-10-8-9-14(16)12(15)4/h8-10,13H,5-7,11,16H2,1-4H3
InChIKeyXCVJQGYNYVXKHK-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.84
Rot. Bonds6

About 3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine

3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine (PubChem CID 63076761) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine
PubChem CID63076761
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine
SMILESCCC(CC)CN(CC)c1cccc(N)c1C
InChIInChI=1S/C15H26N2/c1-5-13(6-2)11-17(7-3)15-10-8-9-14(16)12(15)4/h8-10,13H,5-7,11,16H2,1-4H3
InChIKeyXCVJQGYNYVXKHK-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine (CID 63076761) is 3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine is CCC(CC)CN(CC)c1cccc(N)c1C.
What is the InChIKey of 3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine?
The InChIKey is XCVJQGYNYVXKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-13(6-2)11-17(7-3)15-10-8-9-14(16)12(15)4/h8-10,13H,5-7,11,16H2,1-4H3.
What are the key properties of 3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine?
3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 63076761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).