7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C16H32N2O — CID 103462195

IUPAC7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCC(C)(C)CNCC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C16H32N2O/c1-6-14(2,3)10-18-11-16(17)12-8-7-9-19-13(12)15(16,4)5/h12-13,18H,6-11,17H2,1-5H3
InChIKeyVPOIIAZMCWSMHI-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.54
Rot. Bonds5

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

7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 103462195) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID103462195
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCC(C)(C)CNCC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C16H32N2O/c1-6-14(2,3)10-18-11-16(17)12-8-7-9-19-13(12)15(16,4)5/h12-13,18H,6-11,17H2,1-5H3
InChIKeyVPOIIAZMCWSMHI-UHFFFAOYSA-N
XLogP2.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8,8-Dimethyl-7-[(4,4,4-trifluorobutan-2-ylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 105946209
8,8-Dimethyl-7-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 106219148
8,8-Dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 106294005
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
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

Frequently Asked Questions

What is the IUPAC name of 7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 103462195) is 7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CCC(C)(C)CNCC1(N)C2CCCOC2C1(C)C.
What is the InChIKey of 7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is VPOIIAZMCWSMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-14(2,3)10-18-11-16(17)12-8-7-9-19-13(12)15(16,4)5/h12-13,18H,6-11,17H2,1-5H3.
What are the key properties of 7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 268.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,2-dimethylbutylamino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 103462195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).