N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide

C17H26N2O — CID 6131493

IUPACN-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide
SMILESC=C(C)C1CC=C(C)/C(=N\NC(=O)C2CCCCC2)C1
InChIInChI=1S/C17H26N2O/c1-12(2)15-10-9-13(3)16(11-15)18-19-17(20)14-7-5-4-6-8-14/h9,14-15H,1,4-8,10-11H2,2-3H3,(H,19,20)/b18-16-
InChIKeyQUNCZWIYHLAKLR-VLGSPTGOSA-N
MW274.41 g/mol
LogP3.97
Rot. Bonds3

About N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide

N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide (PubChem CID 6131493) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide
PubChem CID6131493
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide
SMILESC=C(C)C1CC=C(C)/C(=N\NC(=O)C2CCCCC2)C1
InChIInChI=1S/C17H26N2O/c1-12(2)15-10-9-13(3)16(11-15)18-19-17(20)14-7-5-4-6-8-14/h9,14-15H,1,4-8,10-11H2,2-3H3,(H,19,20)/b18-16-
InChIKeyQUNCZWIYHLAKLR-VLGSPTGOSA-N
XLogP3.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.97
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'}

Analyze N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[(2E,5E)-5-fluoro-6-methylocta-2,5-dien-3-yl]-4-methyl-1,4,5,6-tetrahydrodiazepin-7-one
CID 163707964
N'-[(E)-cyclohex-3-en-1-ylmethylidene]cyclohexanecarbohydrazide
CID 9649246
4-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 68248453
ethane;ethene;2-methylcyclohexen-1-amine;4-methyl-3-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]-4,5-dihydro-1H-pyridazin-6-one
CID 141844014
3-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 142842094
5-cyclohexyl-3-ethyl-1H-pyridazin-6-one
CID 155276764
5-cyclohexyl-3-propan-2-yl-1H-pyridazin-6-one
CID 155276801
5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one
CID 155637483
4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium
CID 159997452
6-(2-oxobutyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one
CID 163724005
3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 163925104
5-cyclopentyl-3-ethyl-1H-pyridazin-6-one
CID 166843479

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide?
The IUPAC name of N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide (CID 6131493) is N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide?
The canonical SMILES for N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide is C=C(C)C1CC=C(C)/C(=N\NC(=O)C2CCCCC2)C1.
What is the InChIKey of N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide?
The InChIKey is QUNCZWIYHLAKLR-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)15-10-9-13(3)16(11-15)18-19-17(20)14-7-5-4-6-8-14/h9,14-15H,1,4-8,10-11H2,2-3H3,(H,19,20)/b18-16-.
What are the key properties of N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide?
N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide is sourced from PubChem (CID 6131493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).