N-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine

C27H39N — CID 134299442

IUPACN-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine
SMILESC=CC(/N=C/C)=C(\C=C(\C=C/C)CCCC)C(=C)C/C(C=C(C)C)=C/C=C\C
InChIInChI=1S/C27H39N/c1-9-14-17-24(16-11-3)21-26(27(12-4)28-13-5)23(8)20-25(18-15-10-2)19-22(6)7/h10-13,15-16,18-19,21H,4,8-9,14,17,20H2,1-3,5-7H3/b15-10-,16-11-,24-21-,25-18+,27-26-,28-13+
InChIKeyDSRAVBHSMCKPFR-UFQVKKLJSA-N
MW377.62 g/mol
LogP8.62
Rot. Bonds12

About N-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine

N-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine (PubChem CID 134299442) has the molecular formula C27H39N and a molecular weight of 377.62 g/mol. Its IUPAC name is N-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine
PubChem CID134299442
Molecular FormulaC27H39N
Molecular Weight377.62 g/mol
Exact Mass377.31
IUPAC NameN-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine
SMILESC=CC(/N=C/C)=C(\C=C(\C=C/C)CCCC)C(=C)C/C(C=C(C)C)=C/C=C\C
InChIInChI=1S/C27H39N/c1-9-14-17-24(16-11-3)21-26(27(12-4)28-13-5)23(8)20-25(18-15-10-2)19-22(6)7/h10-13,15-16,18-19,21H,4,8-9,14,17,20H2,1-3,5-7H3/b15-10-,16-11-,24-21-,25-18+,27-26-,28-13+
InChIKeyDSRAVBHSMCKPFR-UFQVKKLJSA-N
XLogP8.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.62
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine?
The IUPAC name of N-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine (CID 134299442) is N-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine.
What is the SMILES notation for N-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine?
The canonical SMILES for N-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine is C=CC(/N=C/C)=C(\C=C(\C=C/C)CCCC)C(=C)C/C(C=C(C)C)=C/C=C\C.
What is the InChIKey of N-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine?
The InChIKey is DSRAVBHSMCKPFR-UFQVKKLJSA-N. The full InChI is InChI=1S/C27H39N/c1-9-14-17-24(16-11-3)21-26(27(12-4)28-13-5)23(8)20-25(18-15-10-2)19-22(6)7/h10-13,15-16,18-19,21H,4,8-9,14,17,20H2,1-3,5-7H3/b15-10-,16-11-,24-21-,25-18+,27-26-,28-13+.
What are the key properties of N-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine?
N-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine has a molecular weight of 377.62 g/mol, XLogP of 8.62, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine is sourced from PubChem (CID 134299442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).