(1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate

C17H34N2O — CID 177471787

IUPAC(1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate
SMILESCC[N+](CC)(CC)/N=C(\[O-])[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C17H34N2O/c1-7-19(8-2,9-3)18-17(20)16-12-14(6)10-11-15(16)13(4)5/h13-16H,7-12H2,1-6H3/t14-,15+,16-/m1/s1
InChIKeyFFDHOTFHONGDQP-OWCLPIDISA-N
MW282.47 g/mol
LogP3.25
Rot. Bonds6

About (1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate

(1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate (PubChem CID 177471787) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is (1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate.

Molecular Properties

Compound Name(1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate
PubChem CID177471787
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name(1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate
SMILESCC[N+](CC)(CC)/N=C(\[O-])[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C17H34N2O/c1-7-19(8-2,9-3)18-17(20)16-12-14(6)10-11-15(16)13(4)5/h13-16H,7-12H2,1-6H3/t14-,15+,16-/m1/s1
InChIKeyFFDHOTFHONGDQP-OWCLPIDISA-N
XLogP3.25
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate with MolForge

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Related Compounds

trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane
CID 54004505
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide
CID 87694717
ethyl (2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 142760008
N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 154148941
4-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)-3-[3-(4-methyl-2-propan-2-ylcyclohexyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)prop-2-enoxy]prop-1-enyl]-2-propan-2-ylcyclohexane
CID 139844888
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate
CID 173436391

Frequently Asked Questions

What is the IUPAC name of (1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate?
The IUPAC name of (1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate (CID 177471787) is (1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate.
What is the SMILES notation for (1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate?
The canonical SMILES for (1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate is CC[N+](CC)(CC)/N=C(\[O-])[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate?
The InChIKey is FFDHOTFHONGDQP-OWCLPIDISA-N. The full InChI is InChI=1S/C17H34N2O/c1-7-19(8-2,9-3)18-17(20)16-12-14(6)10-11-15(16)13(4)5/h13-16H,7-12H2,1-6H3/t14-,15+,16-/m1/s1.
What are the key properties of (1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate?
(1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate has a molecular weight of 282.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,1R,2S,5R)-5-methyl-2-propan-2-yl-N-(triethylazaniumyl)cyclohexane-1-carboximidate is sourced from PubChem (CID 177471787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).