6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C17H33N3O — CID 105421245

IUPAC6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN(CC1(N(C)C)CCC1)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C17H33N3O/c1-15(2)14-13(7-10-21-14)17(15,18)12-20(5)11-16(19(3)4)8-6-9-16/h13-14H,6-12,18H2,1-5H3
InChIKeyGQCOSDWXTBJMJN-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.54
Rot. Bonds5

About 6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 105421245) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID105421245
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN(CC1(N(C)C)CCC1)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C17H33N3O/c1-15(2)14-13(7-10-21-14)17(15,18)12-20(5)11-16(19(3)4)8-6-9-16/h13-14H,6-12,18H2,1-5H3
InChIKeyGQCOSDWXTBJMJN-UHFFFAOYSA-N
XLogP1.54
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 105421245) is 6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CN(CC1(N(C)C)CCC1)CC1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is GQCOSDWXTBJMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15(2)14-13(7-10-21-14)17(15,18)12-20(5)11-16(19(3)4)8-6-9-16/h13-14H,6-12,18H2,1-5H3.
What are the key properties of 6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 295.47 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 105421245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).