7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C17H32N2O — CID 107399334

IUPAC7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCN(CC1CCC1)CC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C17H32N2O/c1-4-19(11-13-7-5-8-13)12-17(18)14-9-6-10-20-15(14)16(17,2)3/h13-15H,4-12,18H2,1-3H3
InChIKeyCIPSQEMJBZQZRH-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.64
Rot. Bonds5

About 7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 107399334) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID107399334
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCN(CC1CCC1)CC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C17H32N2O/c1-4-19(11-13-7-5-8-13)12-17(18)14-9-6-10-20-15(14)16(17,2)3/h13-15H,4-12,18H2,1-3H3
InChIKeyCIPSQEMJBZQZRH-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine 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

8,8-Dimethyl-7-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947344
8,8-Dimethyl-7-[(2,2,2-trifluoroethylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947441
7-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947717
7-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947730
8,8-Dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947733
8,8-Dimethyl-7-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947735
8,8-Dimethyl-7-[(3,3,3-trifluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947956
8,8-Dimethyl-7-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948111
7-[(2,2-Difluoroethylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948238
8,8-Dimethyl-7-[(4,4,4-trifluorobutylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948242
8,8-Dimethyl-7-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948245
7-[[2,2-Difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948361

Frequently Asked Questions

What is the IUPAC name of 7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 107399334) is 7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CCN(CC1CCC1)CC1(N)C2CCCOC2C1(C)C.
What is the InChIKey of 7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is CIPSQEMJBZQZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-19(11-13-7-5-8-13)12-17(18)14-9-6-10-20-15(14)16(17,2)3/h13-15H,4-12,18H2,1-3H3.
What are the key properties of 7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 280.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[cyclobutylmethyl(ethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 107399334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).