4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide

C10H18N2O — CID 170376309

IUPAC4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide
SMILESC=NNC(=O)C1CCC(CC)CC1
InChIInChI=1S/C10H18N2O/c1-3-8-4-6-9(7-5-8)10(13)12-11-2/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyISSNLVYSMBGXMU-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.93
Rot. Bonds3

About 4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide

4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide (PubChem CID 170376309) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide
PubChem CID170376309
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide
SMILESC=NNC(=O)C1CCC(CC)CC1
InChIInChI=1S/C10H18N2O/c1-3-8-4-6-9(7-5-8)10(13)12-11-2/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyISSNLVYSMBGXMU-UHFFFAOYSA-N
XLogP1.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.93
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

methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate
CID 3953130
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
2-bromo-1-(4-ethylcyclohexyl)ethanone
CID 130606092
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
ethane;ethylcyclopropane
CID 91380076
ethane;1-(4-ethylcyclohexyl)butan-2-one
CID 154679041
1-(4-ethylcyclohexyl)-2-methylsulfanylethanone
CID 64775004
N-(heptan-4-ylideneamino)cyclopropanecarboxamide
CID 4282887
acetic acid;ethylcyclopropane
CID 175213909
4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167930823

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide (CID 170376309) is 4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide is C=NNC(=O)C1CCC(CC)CC1.
What is the InChIKey of 4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide?
The InChIKey is ISSNLVYSMBGXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-8-4-6-9(7-5-8)10(13)12-11-2/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide?
4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 170376309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).