6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C16H30N2O — CID 107399448

IUPAC6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCN(CC1CCC1)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C16H30N2O/c1-4-18(10-12-6-5-7-12)11-16(17)13-8-9-19-14(13)15(16,2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyVIIHCFJWYSRDKZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.25
Rot. Bonds5

About 6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 107399448) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID107399448
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCN(CC1CCC1)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C16H30N2O/c1-4-18(10-12-6-5-7-12)11-16(17)13-8-9-19-14(13)15(16,2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyVIIHCFJWYSRDKZ-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 107399448) is 6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CCN(CC1CCC1)CC1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is VIIHCFJWYSRDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-18(10-12-6-5-7-12)11-16(17)13-8-9-19-14(13)15(16,2)3/h12-14H,4-11,17H2,1-3H3.
What are the key properties of 6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 266.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 107399448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).