7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine

C17H25NO — CID 64863919

IUPAC7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC(Cc1ccccc1)NC1C2CCOC2C1(C)C
InChIInChI=1S/C17H25NO/c1-12(11-13-7-5-4-6-8-13)18-15-14-9-10-19-16(14)17(15,2)3/h4-8,12,14-16,18H,9-11H2,1-3H3
InChIKeyZXNZNGJYZPDADE-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.02
Rot. Bonds4

About 7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64863919) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64863919
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC(Cc1ccccc1)NC1C2CCOC2C1(C)C
InChIInChI=1S/C17H25NO/c1-12(11-13-7-5-4-6-8-13)18-15-14-9-10-19-16(14)17(15,2)3/h4-8,12,14-16,18H,9-11H2,1-3H3
InChIKeyZXNZNGJYZPDADE-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)propan-2-yl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864659
N-[1-(furan-2-yl)propan-2-yl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863690
7,7-dimethyl-N-[(1S)-1-phenylethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 81350612
8,8-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863052
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-1-ol
CID 64864462
N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865167
(2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol
CID 103921748
(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol
CID 103921775
7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906316
N-[1-(2,6-difluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864680
1-benzyl-1-(2,2-difluoroethyl)-3-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 97225282
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 7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64863919) is 7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine is CC(Cc1ccccc1)NC1C2CCOC2C1(C)C.
What is the InChIKey of 7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is ZXNZNGJYZPDADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(11-13-7-5-4-6-8-13)18-15-14-9-10-19-16(14)17(15,2)3/h4-8,12,14-16,18H,9-11H2,1-3H3.
What are the key properties of 7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 259.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64863919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).