3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine

C16H28N2O — CID 80722097

IUPAC3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine
SMILESCCCCN(CCCC)c1cc(N)cc(OCC)c1
InChIInChI=1S/C16H28N2O/c1-4-7-9-18(10-8-5-2)15-11-14(17)12-16(13-15)19-6-3/h11-13H,4-10,17H2,1-3H3
InChIKeyYXIKLKMEQHYLSY-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.07
Rot. Bonds9

About 3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine

3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine (PubChem CID 80722097) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine
PubChem CID80722097
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine
SMILESCCCCN(CCCC)c1cc(N)cc(OCC)c1
InChIInChI=1S/C16H28N2O/c1-4-7-9-18(10-8-5-2)15-11-14(17)12-16(13-15)19-6-3/h11-13H,4-10,17H2,1-3H3
InChIKeyYXIKLKMEQHYLSY-UHFFFAOYSA-N
XLogP4.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-N-butyl-5-ethoxyanilino)acetamide
CID 80738963
2-(3-amino-5-ethoxy-N-propylanilino)ethanol
CID 80730766
5-ethoxy-3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 80728549
2-(3-amino-N-butyl-5-propoxyanilino)acetamide
CID 80739849
3-N,3-N-dioctadecylbenzene-1,3,5-triamine
CID 71347082
5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
CID 80722151
3,5-diethoxyaniline
CID 22605063
3-[3-amino-5-ethoxy-N-(2-methoxyethyl)anilino]propanenitrile
CID 80734657
3-N-[3-(dimethylamino)propyl]-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 102991192
3-N-cyclopropyl-5-ethoxy-3-N-propylbenzene-1,3-diamine
CID 80722157
3-amino-N,N-dibutyl-5-ethoxybenzamide
CID 81095116
3-N-butan-2-yl-3-N-butyl-5-propoxybenzene-1,3-diamine
CID 80738961

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine (CID 80722097) is 3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine is CCCCN(CCCC)c1cc(N)cc(OCC)c1.
What is the InChIKey of 3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine?
The InChIKey is YXIKLKMEQHYLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-7-9-18(10-8-5-2)15-11-14(17)12-16(13-15)19-6-3/h11-13H,4-10,17H2,1-3H3.
What are the key properties of 3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine?
3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine is sourced from PubChem (CID 80722097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).