methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate

C10H17NO2 — CID 90796487

IUPACmethyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate
SMILES[H]/N=C1\CCC(C)(C)CC1C(=O)OC
InChIInChI=1S/C10H17NO2/c1-10(2)5-4-8(11)7(6-10)9(12)13-3/h7,11H,4-6H2,1-3H3/b11-8+
InChIKeyHBDYHJCORBNTLS-DHZHZOJOSA-N
MW183.25 g/mol
LogP2.01
Rot. Bonds1

About methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate

methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate (PubChem CID 90796487) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate
PubChem CID90796487
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate
SMILES[H]/N=C1\CCC(C)(C)CC1C(=O)OC
InChIInChI=1S/C10H17NO2/c1-10(2)5-4-8(11)7(6-10)9(12)13-3/h7,11H,4-6H2,1-3H3/b11-8+
InChIKeyHBDYHJCORBNTLS-DHZHZOJOSA-N
XLogP2.01
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-imino-3-methylcyclohexane-1-carboxylate
CID 90724342
Ethyl 2-cyclohexyl-2-iminoacetate
CID 13619870
methyl 4-(C-methoxycarbonimidoyl)cyclohexane-1-carboxylate
CID 54500874
Methyl 2-imino-6,6-dimethylheptanoate
CID 57029020
Ethyl 3-imino-2-methylheptanoate
CID 57053302
Ethyl 2-iminocyclohexane-1-carboxylate
CID 57207114
Methyl 2-iminocyclohexane-1-carboxylate
CID 57245408
Ethyl 2,3-diiminocyclohexane-1-carboxylate
CID 90774372
Ethyl 3-cyclohexyl-3-imino-2-methylpropanoate
CID 90785927
2-Imino-5,5-dimethylcyclohexane-1-carboxylic acid
CID 91008735
Ethyl 3-iminocyclohexane-1-carboxylate
CID 91285528
Ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate
CID 91419376

Frequently Asked Questions

What is the IUPAC name of methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate?
The IUPAC name of methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate (CID 90796487) is methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate is [H]/N=C1\CCC(C)(C)CC1C(=O)OC.
What is the InChIKey of methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate?
The InChIKey is HBDYHJCORBNTLS-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2)5-4-8(11)7(6-10)9(12)13-3/h7,11H,4-6H2,1-3H3/b11-8+.
What are the key properties of methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate?
methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate is sourced from PubChem (CID 90796487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).