N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide

C18H31NO — CID 89174567

IUPACN-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide
SMILESCCCC(/C=C(/C)CCC=C(C)C)=N\C(=O)C(C)(C)C
InChIInChI=1S/C18H31NO/c1-8-10-16(19-17(20)18(5,6)7)13-15(4)12-9-11-14(2)3/h11,13H,8-10,12H2,1-7H3/b15-13-,19-16+
InChIKeyQJENXZSGQVWTBD-KIITWETNSA-N
MW277.45 g/mol
LogP5.49
Rot. Bonds6

About N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide

N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide (PubChem CID 89174567) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide
PubChem CID89174567
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide
SMILESCCCC(/C=C(/C)CCC=C(C)C)=N\C(=O)C(C)(C)C
InChIInChI=1S/C18H31NO/c1-8-10-16(19-17(20)18(5,6)7)13-15(4)12-9-11-14(2)3/h11,13H,8-10,12H2,1-7H3/b15-13-,19-16+
InChIKeyQJENXZSGQVWTBD-KIITWETNSA-N
XLogP5.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide?
The IUPAC name of N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide (CID 89174567) is N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide is CCCC(/C=C(/C)CCC=C(C)C)=N\C(=O)C(C)(C)C.
What is the InChIKey of N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide?
The InChIKey is QJENXZSGQVWTBD-KIITWETNSA-N. The full InChI is InChI=1S/C18H31NO/c1-8-10-16(19-17(20)18(5,6)7)13-15(4)12-9-11-14(2)3/h11,13H,8-10,12H2,1-7H3/b15-13-,19-16+.
What are the key properties of N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide?
N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide has a molecular weight of 277.45 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide is sourced from PubChem (CID 89174567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).