7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C16H30N2O — CID 114948330

IUPAC7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCCC1CCN(CC2(N)C3CCOC3C2(C)C)C1
InChIInChI=1S/C16H30N2O/c1-4-5-12-6-8-18(10-12)11-16(17)13-7-9-19-14(13)15(16,2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyFCYHBYKQWYPHMV-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.25
Rot. Bonds4

About 7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114948330) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114948330
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCCC1CCN(CC2(N)C3CCOC3C2(C)C)C1
InChIInChI=1S/C16H30N2O/c1-4-5-12-6-8-18(10-12)11-16(17)13-7-9-19-14(13)15(16,2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyFCYHBYKQWYPHMV-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114948330) is 7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CCCC1CCN(CC2(N)C3CCOC3C2(C)C)C1.
What is the InChIKey of 7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is FCYHBYKQWYPHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-5-12-6-8-18(10-12)11-16(17)13-7-9-19-14(13)15(16,2)3/h12-14H,4-11,17H2,1-3H3.
What are the key properties of 7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 266.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114948330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).