N-hept-6-enyl-3,4-dimethoxyaniline

C15H23NO2 — CID 107006447

IUPACN-hept-6-enyl-3,4-dimethoxyaniline
SMILESC=CCCCCCNc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-4-5-6-7-8-11-16-13-9-10-14(17-2)15(12-13)18-3/h4,9-10,12,16H,1,5-8,11H2,2-3H3
InChIKeyDDJOVZAMSVDFAB-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.86
Rot. Bonds9

About N-hept-6-enyl-3,4-dimethoxyaniline

N-hept-6-enyl-3,4-dimethoxyaniline (PubChem CID 107006447) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-hept-6-enyl-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-hept-6-enyl-3,4-dimethoxyaniline
PubChem CID107006447
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-hept-6-enyl-3,4-dimethoxyaniline
SMILESC=CCCCCCNc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-4-5-6-7-8-11-16-13-9-10-14(17-2)15(12-13)18-3/h4,9-10,12,16H,1,5-8,11H2,2-3H3
InChIKeyDDJOVZAMSVDFAB-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-diethoxy-N-hept-6-enylaniline
CID 107006456
4-ethyl-N-hept-6-enyl-3-methylaniline
CID 114250202
4-ethoxy-3-methoxy-N-pentylaniline
CID 43229052
N-oct-7-enylaniline
CID 101291024
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 14998841
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
1-(3,4-dimethoxyphenyl)oct-7-enylhydrazine
CID 107012370
3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093802
3-fluoro-4-methoxy-N-prop-2-enylaniline
CID 62141069
5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
N-hept-6-enyl-3-(trifluoromethyl)aniline
CID 107006422

Frequently Asked Questions

What is the IUPAC name of N-hept-6-enyl-3,4-dimethoxyaniline?
The IUPAC name of N-hept-6-enyl-3,4-dimethoxyaniline (CID 107006447) is N-hept-6-enyl-3,4-dimethoxyaniline.
What is the SMILES notation for N-hept-6-enyl-3,4-dimethoxyaniline?
The canonical SMILES for N-hept-6-enyl-3,4-dimethoxyaniline is C=CCCCCCNc1ccc(OC)c(OC)c1.
What is the InChIKey of N-hept-6-enyl-3,4-dimethoxyaniline?
The InChIKey is DDJOVZAMSVDFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-6-7-8-11-16-13-9-10-14(17-2)15(12-13)18-3/h4,9-10,12,16H,1,5-8,11H2,2-3H3.
What are the key properties of N-hept-6-enyl-3,4-dimethoxyaniline?
N-hept-6-enyl-3,4-dimethoxyaniline has a molecular weight of 249.35 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-enyl-3,4-dimethoxyaniline is sourced from PubChem (CID 107006447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).