7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine

C11H21NO — CID 54594844

IUPAC7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCCNC1C2CCOC2C1(C)C
InChIInChI=1S/C11H21NO/c1-4-6-12-9-8-5-7-13-10(8)11(9,2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyLNKAEQDCFIAODV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds3

About 7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 54594844) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID54594844
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCCNC1C2CCOC2C1(C)C
InChIInChI=1S/C11H21NO/c1-4-6-12-9-8-5-7-13-10(8)11(9,2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyLNKAEQDCFIAODV-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylsulfonylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113352100
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N',N'-dimethylethane-1,2-diamine
CID 64871843
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N-propylacetamide
CID 64865245
N-propylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 115776639
7,7-dimethyl-N-(3-methylsulfanylpropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863345
7,7-dimethyl-N-(4,4,4-trifluorobutyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113326974
7,7-dimethyl-N-(4-methylsulfanylbutyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115905849
(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95241136
2-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethoxy]acetamide
CID 114162010
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)hydroxylamine
CID 82685302
7,7-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864491
7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906414

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 54594844) is 7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine is CCCNC1C2CCOC2C1(C)C.
What is the InChIKey of 7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is LNKAEQDCFIAODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-6-12-9-8-5-7-13-10(8)11(9,2)3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 54594844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).