7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C16H30N2O2 — CID 114948008

IUPAC7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN(CC1CCOCC1)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C16H30N2O2/c1-15(2)14-13(6-9-20-14)16(15,17)11-18(3)10-12-4-7-19-8-5-12/h12-14H,4-11,17H2,1-3H3
InChIKeyPFTSWSRXESBMLI-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.49
Rot. Bonds4

About 7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114948008) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114948008
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN(CC1CCOCC1)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C16H30N2O2/c1-15(2)14-13(6-9-20-14)16(15,17)11-18(3)10-12-4-7-19-8-5-12/h12-14H,4-11,17H2,1-3H3
InChIKeyPFTSWSRXESBMLI-UHFFFAOYSA-N
XLogP1.49
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

6-[[cyclopentylmethyl(methyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947992
7,7-dimethyl-6-[[methyl(oxan-3-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948005
7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948266
6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947080
6-[[(4-bromophenyl)methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947481
6-(azocan-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947214
8,8-dimethyl-7-[[methyl(oxolan-3-yl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948287
6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947930
8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947899
6-[(3,5-dimethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947174
7,7-dimethyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947914
6-amino-N-(cyclopropylmethyl)-N-ethyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946101

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114948008) is 7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CN(CC1CCOCC1)CC1(N)C2CCOC2C1(C)C.
What is the InChIKey of 7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is PFTSWSRXESBMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(2)14-13(6-9-20-14)16(15,17)11-18(3)10-12-4-7-19-8-5-12/h12-14H,4-11,17H2,1-3H3.
What are the key properties of 7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 282.43 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114948008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).