N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide

C17H28N2O — CID 4503087

IUPACN-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide
SMILESCC(C)=CCCC(C)=CC=NNC(=O)C1CCCCC1
InChIInChI=1S/C17H28N2O/c1-14(2)8-7-9-15(3)12-13-18-19-17(20)16-10-5-4-6-11-16/h8,12-13,16H,4-7,9-11H2,1-3H3,(H,19,20)
InChIKeyCYHIXWHSYHAWPK-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.36
Rot. Bonds6

About N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide

N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide (PubChem CID 4503087) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide
PubChem CID4503087
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide
SMILESCC(C)=CCCC(C)=CC=NNC(=O)C1CCCCC1
InChIInChI=1S/C17H28N2O/c1-14(2)8-7-9-15(3)12-13-18-19-17(20)16-10-5-4-6-11-16/h8,12-13,16H,4-7,9-11H2,1-3H3,(H,19,20)
InChIKeyCYHIXWHSYHAWPK-UHFFFAOYSA-N
XLogP4.36
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'~1~,N'~10~-bis(3-cyclohexen-1-ylmethylene)decanedihydrazide
CID 5339736
N'-[(E)-cyclohex-3-en-1-ylmethylidene]cyclohexanecarbohydrazide
CID 9649246
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
CID 44506967
N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide
CID 44507345
N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide
CID 44507761
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide
CID 44507762
N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
CID 44507865
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyoctanediamide
CID 44507898
N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 143458421
5-undecan-5-yl-1H-pyridazin-6-one
CID 167307302
5-octan-2-yl-1H-pyridazin-6-one
CID 167307472
N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide
CID 171400493

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide (CID 4503087) is N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide is CC(C)=CCCC(C)=CC=NNC(=O)C1CCCCC1.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide?
The InChIKey is CYHIXWHSYHAWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)8-7-9-15(3)12-13-18-19-17(20)16-10-5-4-6-11-16/h8,12-13,16H,4-7,9-11H2,1-3H3,(H,19,20).
What are the key properties of N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide?
N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide has a molecular weight of 276.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide is sourced from PubChem (CID 4503087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).