8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine

C18H34N2O — CID 103497475

IUPAC8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(C)C1CCN(CC2(N)C3CCCOC3C2(C)C)CC1
InChIInChI=1S/C18H34N2O/c1-13(2)14-7-9-20(10-8-14)12-18(19)15-6-5-11-21-16(15)17(18,3)4/h13-16H,5-12,19H2,1-4H3
InChIKeyNHPLJFZSWVDVJD-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.89
Rot. Bonds3

About 8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 103497475) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID103497475
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(C)C1CCN(CC2(N)C3CCCOC3C2(C)C)CC1
InChIInChI=1S/C18H34N2O/c1-13(2)14-7-9-20(10-8-14)12-18(19)15-6-5-11-21-16(15)17(18,3)4/h13-16H,5-12,19H2,1-4H3
InChIKeyNHPLJFZSWVDVJD-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

8,8-Dimethyl-7-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947344
7-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947717
7-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947730
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-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948111
7-[[2,2-Difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948361
1-(4-Ethylpiperazin-1-yl)-2,4-dimethyl-4-(oxan-2-yl)pentan-2-amine
CID 156130701
[4-(4-Tert-butylpiperidin-1-yl)-2-ethyloxan-4-yl]methanamine
CID 64107644
[4-(4-Ethyl-4-methylpiperidin-1-yl)-2-propyloxan-4-yl]methanamine
CID 64107651
[4-(4-Tert-butylpiperidin-1-yl)-2-propyloxan-4-yl]methanamine
CID 64107845
[4-(4-Ethyl-4-methylpiperidin-1-yl)-2-propan-2-yloxan-4-yl]methanamine
CID 64107854

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine (CID 103497475) is 8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine is CC(C)C1CCN(CC2(N)C3CCCOC3C2(C)C)CC1.
What is the InChIKey of 8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is NHPLJFZSWVDVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-13(2)14-7-9-20(10-8-14)12-18(19)15-6-5-11-21-16(15)17(18,3)4/h13-16H,5-12,19H2,1-4H3.
What are the key properties of 8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 294.48 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 103497475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).