(Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine

C20H31N — CID 145299288

IUPAC(Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine
SMILESCCCCC(/C=C(/C)CCCCc1ccccc1C)=N\C
InChIInChI=1S/C20H31N/c1-5-6-15-20(21-4)16-17(2)11-7-9-13-19-14-10-8-12-18(19)3/h8,10,12,14,16H,5-7,9,11,13,15H2,1-4H3/b17-16-,21-20+
InChIKeySGEADPJENWCENO-BKUOKEKNSA-N
MW285.48 g/mol
LogP5.92
Rot. Bonds9

About (Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine

(Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine (PubChem CID 145299288) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is (Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine.

Molecular Properties

Compound Name(Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine
PubChem CID145299288
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name(Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine
SMILESCCCCC(/C=C(/C)CCCCc1ccccc1C)=N\C
InChIInChI=1S/C20H31N/c1-5-6-15-20(21-4)16-17(2)11-7-9-13-19-14-10-8-12-18(19)3/h8,10,12,14,16H,5-7,9,11,13,15H2,1-4H3/b17-16-,21-20+
InChIKeySGEADPJENWCENO-BKUOKEKNSA-N
XLogP5.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.92
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine?
The IUPAC name of (Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine (CID 145299288) is (Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine.
What is the SMILES notation for (Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine?
The canonical SMILES for (Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine is CCCCC(/C=C(/C)CCCCc1ccccc1C)=N\C.
What is the InChIKey of (Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine?
The InChIKey is SGEADPJENWCENO-BKUOKEKNSA-N. The full InChI is InChI=1S/C20H31N/c1-5-6-15-20(21-4)16-17(2)11-7-9-13-19-14-10-8-12-18(19)3/h8,10,12,14,16H,5-7,9,11,13,15H2,1-4H3/b17-16-,21-20+.
What are the key properties of (Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine?
(Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine has a molecular weight of 285.48 g/mol, XLogP of 5.92, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine is sourced from PubChem (CID 145299288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).