1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide

C14H28N2O2 — CID 113310546

IUPAC1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide
SMILESCCOCCN(C)C(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H28N2O2/c1-4-18-10-9-16(3)13(17)14(11-15)7-5-12(2)6-8-14/h12H,4-11,15H2,1-3H3
InChIKeyGJHOPQMHMNXFEQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.64
Rot. Bonds6

About 1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide (PubChem CID 113310546) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide
PubChem CID113310546
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide
SMILESCCOCCN(C)C(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H28N2O2/c1-4-18-10-9-16(3)13(17)14(11-15)7-5-12(2)6-8-14/h12H,4-11,15H2,1-3H3
InChIKeyGJHOPQMHMNXFEQ-UHFFFAOYSA-N
XLogP1.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide (CID 113310546) is 1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide is CCOCCN(C)C(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is GJHOPQMHMNXFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-18-10-9-16(3)13(17)14(11-15)7-5-12(2)6-8-14/h12H,4-11,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 113310546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).