3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline

C15H24N2 — CID 87148715

IUPAC3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline
SMILESCC/C(C)=N/c1c(CC)cc(CC)c(N)c1C
InChIInChI=1S/C15H24N2/c1-6-10(4)17-15-11(5)14(16)12(7-2)9-13(15)8-3/h9H,6-8,16H2,1-5H3/b17-10+
InChIKeyLOUOLQMOVWGCIE-LICLKQGHSA-N
MW232.37 g/mol
LogP4.20
Rot. Bonds4

About 3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline

3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline (PubChem CID 87148715) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline.

Molecular Properties

Compound Name3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline
PubChem CID87148715
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline
SMILESCC/C(C)=N/c1c(CC)cc(CC)c(N)c1C
InChIInChI=1S/C15H24N2/c1-6-10(4)17-15-11(5)14(16)12(7-2)9-13(15)8-3/h9H,6-8,16H2,1-5H3/b17-10+
InChIKeyLOUOLQMOVWGCIE-LICLKQGHSA-N
XLogP4.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.20
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-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline?
The IUPAC name of 3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline (CID 87148715) is 3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline.
What is the SMILES notation for 3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline?
The canonical SMILES for 3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline is CC/C(C)=N/c1c(CC)cc(CC)c(N)c1C.
What is the InChIKey of 3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline?
The InChIKey is LOUOLQMOVWGCIE-LICLKQGHSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-10(4)17-15-11(5)14(16)12(7-2)9-13(15)8-3/h9H,6-8,16H2,1-5H3/b17-10+.
What are the key properties of 3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline?
3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline has a molecular weight of 232.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylideneamino)-4,6-diethyl-2-methylaniline is sourced from PubChem (CID 87148715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).