N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide

C13H22N2O — CID 171400493

IUPACN-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide
SMILESCC(C)=C/C(C)=N/NC(=O)C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-10(2)9-11(3)14-15-13(16)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3,(H,15,16)/b14-11+
InChIKeyCSWUDQIGENPYDG-SDNWHVSQSA-N
MW222.33 g/mol
LogP3.03
Rot. Bonds3

About N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide

N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide (PubChem CID 171400493) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide
PubChem CID171400493
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide
SMILESCC(C)=C/C(C)=N/NC(=O)C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-10(2)9-11(3)14-15-13(16)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3,(H,15,16)/b14-11+
InChIKeyCSWUDQIGENPYDG-SDNWHVSQSA-N
XLogP3.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
4-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 68248453
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
5-cyclopentyl-3-ethyl-1H-pyridazin-6-one
CID 166843479
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide
CID 3456277
N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide
CID 4503086
N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide
CID 4503087
N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide
CID 4503090
N'-[(6Z)-bicyclo[3.2.0]hept-2-en-6-ylidene]cyclohexanecarbohydrazide
CID 5831710

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide (CID 171400493) is N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide is CC(C)=C/C(C)=N/NC(=O)C1CCCCC1.
What is the InChIKey of N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide?
The InChIKey is CSWUDQIGENPYDG-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)9-11(3)14-15-13(16)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3,(H,15,16)/b14-11+.
What are the key properties of N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide?
N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide has a molecular weight of 222.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 171400493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).