4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide

C13H26N2O2 — CID 104766026

IUPAC4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
SMILESCC(C)OCCNC(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C13H26N2O2/c1-9(2)17-7-6-15-13(16)11-4-5-12(14)10(3)8-11/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyGNKYXPPOUFJMBI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds5

About 4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide

4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide (PubChem CID 104766026) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
PubChem CID104766026
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
SMILESCC(C)OCCNC(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C13H26N2O2/c1-9(2)17-7-6-15-13(16)11-4-5-12(14)10(3)8-11/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyGNKYXPPOUFJMBI-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate
CID 83215209
4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104761102
4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide
CID 63832217
4-amino-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62782491
4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide
CID 62782736
4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63231231
4-amino-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62777735
4-amino-3-methyl-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 115522308
4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 114137006
4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 55139778
4-amino-3-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522321
4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62782835

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide (CID 104766026) is 4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide is CC(C)OCCNC(=O)C1CCC(N)C(C)C1.
What is the InChIKey of 4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide?
The InChIKey is GNKYXPPOUFJMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)17-7-6-15-13(16)11-4-5-12(14)10(3)8-11/h9-12H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide?
4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104766026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).