6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C17H32N2O — CID 114947930

IUPAC6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCC1(C)CCN(CC2(N)C3CCOC3C2(C)C)CC1
InChIInChI=1S/C17H32N2O/c1-5-16(4)7-9-19(10-8-16)12-17(18)13-6-11-20-14(13)15(17,2)3/h13-14H,5-12,18H2,1-4H3
InChIKeyDRPWHSJWYCESBL-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.64
Rot. Bonds3

About 6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114947930) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114947930
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCC1(C)CCN(CC2(N)C3CCOC3C2(C)C)CC1
InChIInChI=1S/C17H32N2O/c1-5-16(4)7-9-19(10-8-16)12-17(18)13-6-11-20-14(13)15(17,2)3/h13-14H,5-12,18H2,1-4H3
InChIKeyDRPWHSJWYCESBL-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

6-[[2,2-Difluoroethyl(methyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113654471
7,7-Dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947346
6-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947718
7,7-Dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947734
7,7-Dimethyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947738
7,7-Dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948112
7,7-Dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948113
7,7-Dimethyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948115
7,7-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863104
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylpiperidin-3-amine
CID 64863521
7,7-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863680
7,7-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863706

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114947930) is 6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CCC1(C)CCN(CC2(N)C3CCOC3C2(C)C)CC1.
What is the InChIKey of 6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is DRPWHSJWYCESBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-16(4)7-9-19(10-8-16)12-17(18)13-6-11-20-14(13)15(17,2)3/h13-14H,5-12,18H2,1-4H3.
What are the key properties of 6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 280.46 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114947930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).