(E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine

C17H27N — CID 143806846

IUPAC(E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine
SMILESCCNC(C)(C)CCC/C=C/c1cccc(C)c1
InChIInChI=1S/C17H27N/c1-5-18-17(3,4)13-8-6-7-11-16-12-9-10-15(2)14-16/h7,9-12,14,18H,5-6,8,13H2,1-4H3/b11-7+
InChIKeyPKPYHWBWWUHOKD-YRNVUSSQSA-N
MW245.41 g/mol
LogP4.57
Rot. Bonds7

About (E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine

(E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine (PubChem CID 143806846) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine
PubChem CID143806846
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine
SMILESCCNC(C)(C)CCC/C=C/c1cccc(C)c1
InChIInChI=1S/C17H27N/c1-5-18-17(3,4)13-8-6-7-11-16-12-9-10-15(2)14-16/h7,9-12,14,18H,5-6,8,13H2,1-4H3/b11-7+
InChIKeyPKPYHWBWWUHOKD-YRNVUSSQSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine?
The IUPAC name of (E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine (CID 143806846) is (E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine?
The canonical SMILES for (E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine is CCNC(C)(C)CCC/C=C/c1cccc(C)c1.
What is the InChIKey of (E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine?
The InChIKey is PKPYHWBWWUHOKD-YRNVUSSQSA-N. The full InChI is InChI=1S/C17H27N/c1-5-18-17(3,4)13-8-6-7-11-16-12-9-10-15(2)14-16/h7,9-12,14,18H,5-6,8,13H2,1-4H3/b11-7+.
What are the key properties of (E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine?
(E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine is sourced from PubChem (CID 143806846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).