(E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine

C24H37N — CID 134286918

IUPAC(E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine
SMILESC=C(c1ccccc1CC)N(C)/C=C(\C)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C24H37N/c1-9-20-12-10-11-13-22(20)19(3)25(8)16-18(2)21-14-23(4,5)17-24(6,7)15-21/h10-13,16,21H,3,9,14-15,17H2,1-2,4-8H3/b18-16+
InChIKeyOVYWONVXXVWGBJ-FBMGVBCBSA-N
MW339.57 g/mol
LogP6.91
Rot. Bonds5

About (E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine

(E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine (PubChem CID 134286918) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is (E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine
PubChem CID134286918
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC Name(E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine
SMILESC=C(c1ccccc1CC)N(C)/C=C(\C)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C24H37N/c1-9-20-12-10-11-13-22(20)19(3)25(8)16-18(2)21-14-23(4,5)17-24(6,7)15-21/h10-13,16,21H,3,9,14-15,17H2,1-2,4-8H3/b18-16+
InChIKeyOVYWONVXXVWGBJ-FBMGVBCBSA-N
XLogP6.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine?
The IUPAC name of (E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine (CID 134286918) is (E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine?
The canonical SMILES for (E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine is C=C(c1ccccc1CC)N(C)/C=C(\C)C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of (E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine?
The InChIKey is OVYWONVXXVWGBJ-FBMGVBCBSA-N. The full InChI is InChI=1S/C24H37N/c1-9-20-12-10-11-13-22(20)19(3)25(8)16-18(2)21-14-23(4,5)17-24(6,7)15-21/h10-13,16,21H,3,9,14-15,17H2,1-2,4-8H3/b18-16+.
What are the key properties of (E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine?
(E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine has a molecular weight of 339.57 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(2-ethylphenyl)ethenyl]-N-methyl-2-(3,3,5,5-tetramethylcyclohexyl)prop-1-en-1-amine is sourced from PubChem (CID 134286918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).