N-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline

C18H26N2 — CID 123842837

IUPACN-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline
SMILESC=CC(=CC)c1ccc(C(C)(C)CC)c(NC)c1N=C
InChIInChI=1S/C18H26N2/c1-8-13(9-2)14-11-12-15(18(4,5)10-3)17(20-7)16(14)19-6/h8-9,11-12,20H,1,6,10H2,2-5,7H3
InChIKeyJNRSFGVZZKEJGN-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.34
Rot. Bonds6

About N-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline

N-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline (PubChem CID 123842837) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline.

Molecular Properties

Compound NameN-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline
PubChem CID123842837
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline
SMILESC=CC(=CC)c1ccc(C(C)(C)CC)c(NC)c1N=C
InChIInChI=1S/C18H26N2/c1-8-13(9-2)14-11-12-15(18(4,5)10-3)17(20-7)16(14)19-6/h8-9,11-12,20H,1,6,10H2,2-5,7H3
InChIKeyJNRSFGVZZKEJGN-UHFFFAOYSA-N
XLogP5.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline?
The IUPAC name of N-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline (CID 123842837) is N-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline.
What is the SMILES notation for N-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline?
The canonical SMILES for N-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline is C=CC(=CC)c1ccc(C(C)(C)CC)c(NC)c1N=C.
What is the InChIKey of N-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline?
The InChIKey is JNRSFGVZZKEJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-8-13(9-2)14-11-12-15(18(4,5)10-3)17(20-7)16(14)19-6/h8-9,11-12,20H,1,6,10H2,2-5,7H3.
What are the key properties of N-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline?
N-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline has a molecular weight of 270.42 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylbutan-2-yl)-2-(methylideneamino)-3-penta-1,3-dien-3-ylaniline is sourced from PubChem (CID 123842837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).