N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine

C20H38N2 — CID 134419948

IUPACN-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine
SMILESC/C=N/C=C(\N=C\C)C(CCCCCC)CCCCCCC
InChIInChI=1S/C20H38N2/c1-5-9-11-13-15-17-19(16-14-12-10-6-2)20(22-8-4)18-21-7-3/h7-8,18-19H,5-6,9-17H2,1-4H3/b20-18-,21-7+,22-8+
InChIKeyPUQRHIMZNXKDAQ-KVZNZESZSA-N
MW306.54 g/mol
LogP6.96
Rot. Bonds14

About N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine

N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine (PubChem CID 134419948) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine
PubChem CID134419948
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC NameN-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine
SMILESC/C=N/C=C(\N=C\C)C(CCCCCC)CCCCCCC
InChIInChI=1S/C20H38N2/c1-5-9-11-13-15-17-19(16-14-12-10-6-2)20(22-8-4)18-21-7-3/h7-8,18-19H,5-6,9-17H2,1-4H3/b20-18-,21-7+,22-8+
InChIKeyPUQRHIMZNXKDAQ-KVZNZESZSA-N
XLogP6.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine (CID 134419948) is N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine is C/C=N/C=C(\N=C\C)C(CCCCCC)CCCCCCC.
What is the InChIKey of N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine?
The InChIKey is PUQRHIMZNXKDAQ-KVZNZESZSA-N. The full InChI is InChI=1S/C20H38N2/c1-5-9-11-13-15-17-19(16-14-12-10-6-2)20(22-8-4)18-21-7-3/h7-8,18-19H,5-6,9-17H2,1-4H3/b20-18-,21-7+,22-8+.
What are the key properties of N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine?
N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine has a molecular weight of 306.54 g/mol, XLogP of 6.96, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine is sourced from PubChem (CID 134419948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).