methyl 3-ethylcyclohexane-1-carboximidate

C10H19NO — CID 65415415

IUPACmethyl 3-ethylcyclohexane-1-carboximidate
SMILES[H]/N=C(\OC)C1CCCC(CC)C1
InChIInChI=1S/C10H19NO/c1-3-8-5-4-6-9(7-8)10(11)12-2/h8-9,11H,3-7H2,1-2H3/b11-10-
InChIKeyTWOGCSNBNXXUOV-KHPPLWFESA-N
MW169.27 g/mol
LogP2.83
Rot. Bonds2

About methyl 3-ethylcyclohexane-1-carboximidate

methyl 3-ethylcyclohexane-1-carboximidate (PubChem CID 65415415) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is methyl 3-ethylcyclohexane-1-carboximidate.

Molecular Properties

Compound Namemethyl 3-ethylcyclohexane-1-carboximidate
PubChem CID65415415
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Namemethyl 3-ethylcyclohexane-1-carboximidate
SMILES[H]/N=C(\OC)C1CCCC(CC)C1
InChIInChI=1S/C10H19NO/c1-3-8-5-4-6-9(7-8)10(11)12-2/h8-9,11H,3-7H2,1-2H3/b11-10-
InChIKeyTWOGCSNBNXXUOV-KHPPLWFESA-N
XLogP2.83
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
1-(3-ethylcyclohexyl)ethanethione
CID 175971098
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474
ethyl cyclopentanecarboximidate
CID 11412691
(3-ethylcyclohexyl)-(oxan-4-yl)methanone
CID 65329371
1-(3-ethylcyclohexyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566302
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79606917
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
CID 79566351
(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone
CID 116568230
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethylcyclohexane-1-carboximidate?
The IUPAC name of methyl 3-ethylcyclohexane-1-carboximidate (CID 65415415) is methyl 3-ethylcyclohexane-1-carboximidate.
What is the SMILES notation for methyl 3-ethylcyclohexane-1-carboximidate?
The canonical SMILES for methyl 3-ethylcyclohexane-1-carboximidate is [H]/N=C(\OC)C1CCCC(CC)C1.
What is the InChIKey of methyl 3-ethylcyclohexane-1-carboximidate?
The InChIKey is TWOGCSNBNXXUOV-KHPPLWFESA-N. The full InChI is InChI=1S/C10H19NO/c1-3-8-5-4-6-9(7-8)10(11)12-2/h8-9,11H,3-7H2,1-2H3/b11-10-.
What are the key properties of methyl 3-ethylcyclohexane-1-carboximidate?
methyl 3-ethylcyclohexane-1-carboximidate has a molecular weight of 169.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethylcyclohexane-1-carboximidate is sourced from PubChem (CID 65415415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).