3-(butylideneamino)-2,4,6-triethylaniline

C16H26N2 — CID 87856502

IUPAC3-(butylideneamino)-2,4,6-triethylaniline
SMILESCCC/C=N/c1c(CC)cc(CC)c(N)c1CC
InChIInChI=1S/C16H26N2/c1-5-9-10-18-16-13(7-3)11-12(6-2)15(17)14(16)8-4/h10-11H,5-9,17H2,1-4H3/b18-10+
InChIKeyYUUTZGQHJOJOCH-VCHYOVAHSA-N
MW246.40 g/mol
LogP4.46
Rot. Bonds6

About 3-(butylideneamino)-2,4,6-triethylaniline

3-(butylideneamino)-2,4,6-triethylaniline (PubChem CID 87856502) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-(butylideneamino)-2,4,6-triethylaniline.

Molecular Properties

Compound Name3-(butylideneamino)-2,4,6-triethylaniline
PubChem CID87856502
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-(butylideneamino)-2,4,6-triethylaniline
SMILESCCC/C=N/c1c(CC)cc(CC)c(N)c1CC
InChIInChI=1S/C16H26N2/c1-5-9-10-18-16-13(7-3)11-12(6-2)15(17)14(16)8-4/h10-11H,5-9,17H2,1-4H3/b18-10+
InChIKeyYUUTZGQHJOJOCH-VCHYOVAHSA-N
XLogP4.46
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(butylideneamino)-2,4,6-triethylaniline?
The IUPAC name of 3-(butylideneamino)-2,4,6-triethylaniline (CID 87856502) is 3-(butylideneamino)-2,4,6-triethylaniline.
What is the SMILES notation for 3-(butylideneamino)-2,4,6-triethylaniline?
The canonical SMILES for 3-(butylideneamino)-2,4,6-triethylaniline is CCC/C=N/c1c(CC)cc(CC)c(N)c1CC.
What is the InChIKey of 3-(butylideneamino)-2,4,6-triethylaniline?
The InChIKey is YUUTZGQHJOJOCH-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-9-10-18-16-13(7-3)11-12(6-2)15(17)14(16)8-4/h10-11H,5-9,17H2,1-4H3/b18-10+.
What are the key properties of 3-(butylideneamino)-2,4,6-triethylaniline?
3-(butylideneamino)-2,4,6-triethylaniline has a molecular weight of 246.40 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylideneamino)-2,4,6-triethylaniline is sourced from PubChem (CID 87856502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).