N-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine

C18H33N — CID 89217317

IUPACN-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine
SMILESCCC/C=C(\C=C(/C)CC)CCC(C)/N=C(\C)CC
InChIInChI=1S/C18H33N/c1-7-10-11-18(14-15(4)8-2)13-12-17(6)19-16(5)9-3/h11,14,17H,7-10,12-13H2,1-6H3/b15-14+,18-11-,19-16+
InChIKeyLWYXRCBWBKNKJH-RKOKAFCNSA-N
MW263.47 g/mol
LogP6.11
Rot. Bonds9

About N-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine

N-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine (PubChem CID 89217317) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine.

Molecular Properties

Compound NameN-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine
PubChem CID89217317
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine
SMILESCCC/C=C(\C=C(/C)CC)CCC(C)/N=C(\C)CC
InChIInChI=1S/C18H33N/c1-7-10-11-18(14-15(4)8-2)13-12-17(6)19-16(5)9-3/h11,14,17H,7-10,12-13H2,1-6H3/b15-14+,18-11-,19-16+
InChIKeyLWYXRCBWBKNKJH-RKOKAFCNSA-N
XLogP6.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 56.11
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-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine?
The IUPAC name of N-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine (CID 89217317) is N-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine.
What is the SMILES notation for N-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine?
The canonical SMILES for N-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine is CCC/C=C(\C=C(/C)CC)CCC(C)/N=C(\C)CC.
What is the InChIKey of N-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine?
The InChIKey is LWYXRCBWBKNKJH-RKOKAFCNSA-N. The full InChI is InChI=1S/C18H33N/c1-7-10-11-18(14-15(4)8-2)13-12-17(6)19-16(5)9-3/h11,14,17H,7-10,12-13H2,1-6H3/b15-14+,18-11-,19-16+.
What are the key properties of N-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine?
N-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine has a molecular weight of 263.47 g/mol, XLogP of 6.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-[(E)-2-methylbut-1-enyl]non-5-en-2-yl]butan-2-imine is sourced from PubChem (CID 89217317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).