N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine

C21H39N — CID 134419944

IUPACN-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine
SMILESC/C=C\C(=C/N=C/C)C(CCCCCC)CCCCCCC
InChIInChI=1S/C21H39N/c1-5-9-11-13-15-18-20(17-14-12-10-6-2)21(16-7-3)19-22-8-4/h7-8,16,19-20H,5-6,9-15,17-18H2,1-4H3/b16-7-,21-19+,22-8+
InChIKeyNZCZCTQGLSSLGR-TVJVCMEKSA-N
MW305.55 g/mol
LogP7.48
Rot. Bonds14

About N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine

N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine (PubChem CID 134419944) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine
PubChem CID134419944
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC NameN-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine
SMILESC/C=C\C(=C/N=C/C)C(CCCCCC)CCCCCCC
InChIInChI=1S/C21H39N/c1-5-9-11-13-15-18-20(17-14-12-10-6-2)21(16-7-3)19-22-8-4/h7-8,16,19-20H,5-6,9-15,17-18H2,1-4H3/b16-7-,21-19+,22-8+
InChIKeyNZCZCTQGLSSLGR-TVJVCMEKSA-N
XLogP7.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine (CID 134419944) is N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine is C/C=C\C(=C/N=C/C)C(CCCCCC)CCCCCCC.
What is the InChIKey of N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine?
The InChIKey is NZCZCTQGLSSLGR-TVJVCMEKSA-N. The full InChI is InChI=1S/C21H39N/c1-5-9-11-13-15-18-20(17-14-12-10-6-2)21(16-7-3)19-22-8-4/h7-8,16,19-20H,5-6,9-15,17-18H2,1-4H3/b16-7-,21-19+,22-8+.
What are the key properties of N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine?
N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine has a molecular weight of 305.55 g/mol, XLogP of 7.48, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine is sourced from PubChem (CID 134419944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).