N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide

C12H24N2O2 — CID 106829123

IUPACN-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCOCCN)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-12(5-3-2-4-6-12)11(15)14-8-10-16-9-7-13/h2-10,13H2,1H3,(H,14,15)
InChIKeyVTJZLHHKBRJCFI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide

N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 106829123) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide
PubChem CID106829123
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCOCCN)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-12(5-3-2-4-6-12)11(15)14-8-10-16-9-7-13/h2-10,13H2,1H3,(H,14,15)
InChIKeyVTJZLHHKBRJCFI-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide (CID 106829123) is N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NCCOCCN)CCCCC1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is VTJZLHHKBRJCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(5-3-2-4-6-12)11(15)14-8-10-16-9-7-13/h2-10,13H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide?
N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106829123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).