8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine

C17H31NO — CID 79352806

IUPAC8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCC2C(C)(C)C2(C)C)C2CCCOC21
InChIInChI=1S/C17H31NO/c1-15(2)13(11-8-7-9-19-14(11)15)18-10-12-16(3,4)17(12,5)6/h11-14,18H,7-10H2,1-6H3
InChIKeyOZASQASZKHJVCX-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.46
Rot. Bonds3

About 8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 79352806) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID79352806
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCC2C(C)(C)C2(C)C)C2CCCOC21
InChIInChI=1S/C17H31NO/c1-15(2)13(11-8-7-9-19-14(11)15)18-10-12-16(3,4)17(12,5)6/h11-14,18H,7-10H2,1-6H3
InChIKeyOZASQASZKHJVCX-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

8,8-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863813
N-[(1,1-dioxothiolan-2-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 81039121
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-dimethylbutane-1,4-diamine
CID 64864993
N-(1,4-dithian-2-ylmethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 115906149
N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 113352197
8,8-dimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865555
N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine
CID 64865191
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide
CID 102676232
2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol
CID 114750778
(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247
2-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenol
CID 115655104
8,8-dimethyl-N-(2-phenylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863596

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine (CID 79352806) is 8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(NCC2C(C)(C)C2(C)C)C2CCCOC21.
What is the InChIKey of 8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is OZASQASZKHJVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-15(2)13(11-8-7-9-19-14(11)15)18-10-12-16(3,4)17(12,5)6/h11-14,18H,7-10H2,1-6H3.
What are the key properties of 8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 265.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 79352806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).