1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide

C14H28N2O2 — CID 114277119

IUPAC1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide
SMILESCON(CC(C)(C)C)C(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C14H28N2O2/c1-11-7-6-8-14(15,9-11)12(17)16(18-5)10-13(2,3)4/h11H,6-10,15H2,1-5H3
InChIKeyINTFYEUFGIOBGL-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.33
Rot. Bonds3

About 1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide

1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide (PubChem CID 114277119) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide
PubChem CID114277119
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide
SMILESCON(CC(C)(C)C)C(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C14H28N2O2/c1-11-7-6-8-14(15,9-11)12(17)16(18-5)10-13(2,3)4/h11H,6-10,15H2,1-5H3
InChIKeyINTFYEUFGIOBGL-UHFFFAOYSA-N
XLogP2.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide (CID 114277119) is 1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide is CON(CC(C)(C)C)C(=O)C1(N)CCCC(C)C1.
What is the InChIKey of 1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide?
The InChIKey is INTFYEUFGIOBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-7-6-8-14(15,9-11)12(17)16(18-5)10-13(2,3)4/h11H,6-10,15H2,1-5H3.
What are the key properties of 1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide?
1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 114277119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).