N-oct-7-enylaniline

C14H21N — CID 101291024

IUPACN-oct-7-enylaniline
SMILESC=CCCCCCCNc1ccccc1
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2,7-9,11-12,15H,1,3-6,10,13H2
InChIKeyYGDUSLDXAKYKHO-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.24
Rot. Bonds8

About N-oct-7-enylaniline

N-oct-7-enylaniline (PubChem CID 101291024) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-oct-7-enylaniline.

Molecular Properties

Compound NameN-oct-7-enylaniline
PubChem CID101291024
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-oct-7-enylaniline
SMILESC=CCCCCCCNc1ccccc1
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2,7-9,11-12,15H,1,3-6,10,13H2
InChIKeyYGDUSLDXAKYKHO-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-(18-methylnonadec-9-enyl)aniline
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N-heptylaniline;hydrate
CID 174886464
N-hept-6-enyl-3,4-dimethoxyaniline
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Frequently Asked Questions

What is the IUPAC name of N-oct-7-enylaniline?
The IUPAC name of N-oct-7-enylaniline (CID 101291024) is N-oct-7-enylaniline.
What is the SMILES notation for N-oct-7-enylaniline?
The canonical SMILES for N-oct-7-enylaniline is C=CCCCCCCNc1ccccc1.
What is the InChIKey of N-oct-7-enylaniline?
The InChIKey is YGDUSLDXAKYKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2,7-9,11-12,15H,1,3-6,10,13H2.
What are the key properties of N-oct-7-enylaniline?
N-oct-7-enylaniline has a molecular weight of 203.33 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-oct-7-enylaniline is sourced from PubChem (CID 101291024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).