4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide

C12H18N2O — CID 167480762

IUPAC4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide
SMILESC=C/C=N/C(=N\C)C1CCC(C=O)CC1
InChIInChI=1S/C12H18N2O/c1-3-8-14-12(13-2)11-6-4-10(9-15)5-7-11/h3,8-11H,1,4-7H2,2H3/b13-12-,14-8+
InChIKeyNFFFQQSXPXVICD-PDHOTBSTSA-N
MW206.29 g/mol
LogP2.28
Rot. Bonds3

About 4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide

4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide (PubChem CID 167480762) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide
PubChem CID167480762
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide
SMILESC=C/C=N/C(=N\C)C1CCC(C=O)CC1
InChIInChI=1S/C12H18N2O/c1-3-8-14-12(13-2)11-6-4-10(9-15)5-7-11/h3,8-11H,1,4-7H2,2H3/b13-12-,14-8+
InChIKeyNFFFQQSXPXVICD-PDHOTBSTSA-N
XLogP2.28
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexane-1,4-dicarbaldehyde;ethene
CID 155579013
4-ethenylcyclohexane-1-carbaldehyde
CID 15509286
4-[4-[4-[4-(4-formylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane-1-carboxylic acid
CID 58462814
sodium;boranuide;cyclopropanecarbaldehyde
CID 174059838
3-ethenyl-N-methylcyclopentane-1-carboxamide
CID 169181911
cyclooctane-1,4-dicarbaldehyde
CID 19884381
4-cyclopropylcyclohexane-1-carbaldehyde
CID 149055202
4-[(3Z,5Z)-5-(4-ethenylcyclohexyl)-3,4-difluorohepta-1,3,5-trien-2-yl]cyclohexane-1-carbaldehyde
CID 88953250
cyclohexanecarbaldehyde;ethane;methanol
CID 144911027
4-methylidenecyclohexane-1-carbaldehyde
CID 15818136
4-ethenylcyclohexane-1-carboxylic acid
CID 18538169
cis-ethyl (1R,3S)-3-formylcyclopentane-1-carboxylate
CID 10583280

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide?
The IUPAC name of 4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide (CID 167480762) is 4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide.
What is the SMILES notation for 4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide?
The canonical SMILES for 4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide is C=C/C=N/C(=N\C)C1CCC(C=O)CC1.
What is the InChIKey of 4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide?
The InChIKey is NFFFQQSXPXVICD-PDHOTBSTSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-8-14-12(13-2)11-6-4-10(9-15)5-7-11/h3,8-11H,1,4-7H2,2H3/b13-12-,14-8+.
What are the key properties of 4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide?
4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide has a molecular weight of 206.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N'-methyl-N-prop-2-enylidenecyclohexane-1-carboximidamide is sourced from PubChem (CID 167480762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).