N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline

C14H20N2 — CID 177464086

IUPACN-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline
SMILESC/C=C/CCC/C(C)=N/Nc1ccccc1
InChIInChI=1S/C14H20N2/c1-3-4-5-7-10-13(2)15-16-14-11-8-6-9-12-14/h3-4,6,8-9,11-12,16H,5,7,10H2,1-2H3/b4-3+,15-13+
InChIKeyGTNDQYYBSNIAOQ-CVQZUKTBSA-N
MW216.33 g/mol
LogP4.22
Rot. Bonds6

About N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline

N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline (PubChem CID 177464086) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline
PubChem CID177464086
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline
SMILESC/C=C/CCC/C(C)=N/Nc1ccccc1
InChIInChI=1S/C14H20N2/c1-3-4-5-7-10-13(2)15-16-14-11-8-6-9-12-14/h3-4,6,8-9,11-12,16H,5,7,10H2,1-2H3/b4-3+,15-13+
InChIKeyGTNDQYYBSNIAOQ-CVQZUKTBSA-N
XLogP4.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline?
The IUPAC name of N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline (CID 177464086) is N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline.
What is the SMILES notation for N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline?
The canonical SMILES for N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline is C/C=C/CCC/C(C)=N/Nc1ccccc1.
What is the InChIKey of N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline?
The InChIKey is GTNDQYYBSNIAOQ-CVQZUKTBSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-4-5-7-10-13(2)15-16-14-11-8-6-9-12-14/h3-4,6,8-9,11-12,16H,5,7,10H2,1-2H3/b4-3+,15-13+.
What are the key properties of N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline?
N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline has a molecular weight of 216.33 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline is sourced from PubChem (CID 177464086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).