2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine

C14H28N2O — CID 65283837

IUPAC2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine
SMILESCC1(C)CCCN(C(CN)C2CCOC2)CC1
InChIInChI=1S/C14H28N2O/c1-14(2)5-3-7-16(8-6-14)13(10-15)12-4-9-17-11-12/h12-13H,3-11,15H2,1-2H3
InChIKeyKELNKSJAMSPDOJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.86
Rot. Bonds3

About 2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine

2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine (PubChem CID 65283837) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine
PubChem CID65283837
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine
SMILESCC1(C)CCCN(C(CN)C2CCOC2)CC1
InChIInChI=1S/C14H28N2O/c1-14(2)5-3-7-16(8-6-14)13(10-15)12-4-9-17-11-12/h12-13H,3-11,15H2,1-2H3
InChIKeyKELNKSJAMSPDOJ-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)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

2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine
CID 61222169
2-(3-methoxypyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine
CID 103531661
1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166511
1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 55242614
ethyl 3-(azepan-1-yl)-3-(oxolan-3-yl)propanoate
CID 64528026
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine
CID 16783449
2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988805
[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65283742
2-(2,4-dimethylpiperidin-1-yl)-2-(oxan-3-yl)ethanamine
CID 63741474
2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine
CID 62775186
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol
CID 79137884
2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine
CID 63741473

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine (CID 65283837) is 2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine is CC1(C)CCCN(C(CN)C2CCOC2)CC1.
What is the InChIKey of 2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine?
The InChIKey is KELNKSJAMSPDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2)5-3-7-16(8-6-14)13(10-15)12-4-9-17-11-12/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine?
2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 65283837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).