(1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine

C18H27N — CID 138605960

IUPAC(1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine
SMILESC=CC(Cc1ccccc1CC)C(/C=C\NC)CC
InChIInChI=1S/C18H27N/c1-5-15-10-8-9-11-18(15)14-17(7-3)16(6-2)12-13-19-4/h7-13,16-17,19H,3,5-6,14H2,1-2,4H3/b13-12-
InChIKeyHRJHSLQLUYBVDE-SEYXRHQNSA-N
MW257.42 g/mol
LogP4.35
Rot. Bonds8

About (1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine

(1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine (PubChem CID 138605960) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is (1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine
PubChem CID138605960
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name(1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine
SMILESC=CC(Cc1ccccc1CC)C(/C=C\NC)CC
InChIInChI=1S/C18H27N/c1-5-15-10-8-9-11-18(15)14-17(7-3)16(6-2)12-13-19-4/h7-13,16-17,19H,3,5-6,14H2,1-2,4H3/b13-12-
InChIKeyHRJHSLQLUYBVDE-SEYXRHQNSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(2-methylbut-3-enyl)benzene
CID 18956737
1-ethyl-2-(2-methylbutyl)benzene
CID 91267290
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CID 67680227
1,2-diethylbenzene;hydrobromide
CID 174973685
1,2-diethylbenzene;propa-1,2-diene
CID 174831347
1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene
CID 123267472
1,2-diethylbenzene;formamide
CID 157370947
1,2-diethylbenzene;propanal
CID 174478177
N-[(2-ethylphenyl)methyl]methanimine
CID 126763351
3-(2-ethylphenyl)-2-methylpropan-1-ol
CID 23398441
S-(2-ethylphenyl) prop-2-enethioate
CID 175247853
1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine?
The IUPAC name of (1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine (CID 138605960) is (1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine.
What is the SMILES notation for (1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine?
The canonical SMILES for (1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine is C=CC(Cc1ccccc1CC)C(/C=C\NC)CC.
What is the InChIKey of (1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine?
The InChIKey is HRJHSLQLUYBVDE-SEYXRHQNSA-N. The full InChI is InChI=1S/C18H27N/c1-5-15-10-8-9-11-18(15)14-17(7-3)16(6-2)12-13-19-4/h7-13,16-17,19H,3,5-6,14H2,1-2,4H3/b13-12-.
What are the key properties of (1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine?
(1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-ethyl-4-[(2-ethylphenyl)methyl]-N-methylhexa-1,5-dien-1-amine is sourced from PubChem (CID 138605960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).