7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C15H28N2O2 — CID 114948187

IUPAC7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(CNCC2(N)C3CCOC3C2(C)C)CCCO1
InChIInChI=1S/C15H28N2O2/c1-13(2)12-11(5-8-18-12)15(13,16)10-17-9-14(3)6-4-7-19-14/h11-12,17H,4-10,16H2,1-3H3
InChIKeySLCWYCUWBJYSRZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.29
Rot. Bonds4

About 7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114948187) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114948187
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(CNCC2(N)C3CCOC3C2(C)C)CCCO1
InChIInChI=1S/C15H28N2O2/c1-13(2)12-11(5-8-18-12)15(13,16)10-17-9-14(3)6-4-7-19-14/h11-12,17H,4-10,16H2,1-3H3
InChIKeySLCWYCUWBJYSRZ-UHFFFAOYSA-N
XLogP1.29
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948121
6-(azocan-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947214
7-(butylaminomethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947429
[1-[[(2-methyloxolan-2-yl)methylamino]methyl]cycloheptyl]methanamine
CID 115445038
8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 106294005
6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947080
8,8-dimethyl-7-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948245
3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine
CID 112556025
6-[[cyclopentylmethyl(methyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947992
6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947930
2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine
CID 102627953
7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948266

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114948187) is 7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(CNCC2(N)C3CCOC3C2(C)C)CCCO1.
What is the InChIKey of 7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is SLCWYCUWBJYSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(2)12-11(5-8-18-12)15(13,16)10-17-9-14(3)6-4-7-19-14/h11-12,17H,4-10,16H2,1-3H3.
What are the key properties of 7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 268.40 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114948187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).