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

C12H24N2O2 — CID 104761102

IUPAC4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
SMILESCC(C)OCCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)16-8-7-14-12(15)10-3-5-11(13)6-4-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyAHPGRRHVEMZGDX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds5

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

4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide (PubChem CID 104761102) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
PubChem CID104761102
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
SMILESCC(C)OCCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)16-8-7-14-12(15)10-3-5-11(13)6-4-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyAHPGRRHVEMZGDX-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
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

4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 114137006
4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104766026
4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
CID 113264018
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 62641512
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
4-[(4-aminocyclohexanecarbonyl)amino]-2-methylbutanoic acid
CID 80539751
2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 113450216
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310576
4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide
CID 61274922
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
2-propan-2-yloxyethylurea
CID 22179539

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide (CID 104761102) is 4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide is CC(C)OCCNC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide?
The InChIKey is AHPGRRHVEMZGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)16-8-7-14-12(15)10-3-5-11(13)6-4-10/h9-11H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide?
4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104761102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).