(2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

C24H37NO — CID 11631762

IUPAC(2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCCN(CC)C(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C24H37NO/c1-8-25(9-2)23(26)18-20(4)13-10-12-19(3)15-16-22-21(5)14-11-17-24(22,6)7/h10,12-13,15-16,18H,8-9,11,14,17H2,1-7H3/b13-10+,16-15+,19-12+,20-18+
InChIKeyVGHCEZZEVXSBBU-VVYUTNTRSA-N
MW355.57 g/mol
LogP6.39
Rot. Bonds7

About (2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

(2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 11631762) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

Molecular Properties

Compound Name(2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
PubChem CID11631762
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name(2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCCN(CC)C(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C24H37NO/c1-8-25(9-2)23(26)18-20(4)13-10-12-19(3)15-16-22-21(5)14-11-17-24(22,6)7/h10,12-13,15-16,18H,8-9,11,14,17H2,1-7H3/b13-10+,16-15+,19-12+,20-18+
InChIKeyVGHCEZZEVXSBBU-VVYUTNTRSA-N
XLogP6.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The IUPAC name of (2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 11631762) is (2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.
What is the SMILES notation for (2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The canonical SMILES for (2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is CCN(CC)C(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of (2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The InChIKey is VGHCEZZEVXSBBU-VVYUTNTRSA-N. The full InChI is InChI=1S/C24H37NO/c1-8-25(9-2)23(26)18-20(4)13-10-12-19(3)15-16-22-21(5)14-11-17-24(22,6)7/h10,12-13,15-16,18H,8-9,11,14,17H2,1-7H3/b13-10+,16-15+,19-12+,20-18+.
What are the key properties of (2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
(2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 355.57 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-N,N-diethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 11631762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).