2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine

C12H26N2O — CID 79478625

IUPAC2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine
SMILESCC1(C)CCCN(CCOCCN)CC1
InChIInChI=1S/C12H26N2O/c1-12(2)4-3-7-14(8-5-12)9-11-15-10-6-13/h3-11,13H2,1-2H3
InChIKeyNVYAYWRJOIWTQV-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds5

About 2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine

2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine (PubChem CID 79478625) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine
PubChem CID79478625
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine
SMILESCC1(C)CCCN(CCOCCN)CC1
InChIInChI=1S/C12H26N2O/c1-12(2)4-3-7-14(8-5-12)9-11-15-10-6-13/h3-11,13H2,1-2H3
InChIKeyNVYAYWRJOIWTQV-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethoxyethyl)-4,4-dimethylpiperidine
CID 142902694
4,4-dimethyl-1-pentylazepane
CID 18723213
5-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 62458957
2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane
CID 156883236
4-[4-(2-butoxyethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 61483102
1-[2-(2-aminoethoxy)ethyl]-N,N-dimethylpiperidin-4-amine
CID 79478502
1-[3-(2-methoxyethoxy)propyl]-4-methylazepan-4-ol
CID 107408407
ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
CID 144858617
5-(4,4-dimethylazepan-1-yl)pentan-2-one
CID 65282476
2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine
CID 79479691
[4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine
CID 107160532

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine (CID 79478625) is 2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine is CC1(C)CCCN(CCOCCN)CC1.
What is the InChIKey of 2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine?
The InChIKey is NVYAYWRJOIWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2)4-3-7-14(8-5-12)9-11-15-10-6-13/h3-11,13H2,1-2H3.
What are the key properties of 2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine?
2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 79478625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).