1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide

C11H22N2O3 — CID 39058444

IUPAC1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide
SMILESCOC(CNC(=O)C1(N)CCCCC1)OC
InChIInChI=1S/C11H22N2O3/c1-15-9(16-2)8-13-10(14)11(12)6-4-3-5-7-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyXMMOPDXHCHLYKH-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.38
Rot. Bonds5

About 1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide

1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide (PubChem CID 39058444) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide
PubChem CID39058444
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide
SMILESCOC(CNC(=O)C1(N)CCCCC1)OC
InChIInChI=1S/C11H22N2O3/c1-15-9(16-2)8-13-10(14)11(12)6-4-3-5-7-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyXMMOPDXHCHLYKH-UHFFFAOYSA-N
XLogP0.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide (CID 39058444) is 1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide is COC(CNC(=O)C1(N)CCCCC1)OC.
What is the InChIKey of 1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide?
The InChIKey is XMMOPDXHCHLYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-15-9(16-2)8-13-10(14)11(12)6-4-3-5-7-11/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide?
1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 39058444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).