4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide

C13H26N2O2 — CID 113264018

IUPAC4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)COCCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-17-8-7-15-13(16)11-3-5-12(14)6-4-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyUNVFONPKPLOPLU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds6

About 4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide

4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 113264018) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID113264018
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)COCCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-17-8-7-15-13(16)11-3-5-12(14)6-4-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyUNVFONPKPLOPLU-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104761102
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 114137006
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 62641512
3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
4-[(4-aminocyclohexanecarbonyl)amino]-2-methylbutanoic acid
CID 80539751
4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310576
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549
4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide
CID 114100069
4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 62806612
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide (CID 113264018) is 4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide is CC(C)COCCNC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is UNVFONPKPLOPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)9-17-8-7-15-13(16)11-3-5-12(14)6-4-11/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide?
4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 113264018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).