N-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C15H25NO — CID 64863485

IUPACN-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NC(C2CC2)C2CC2)C2CCOC21
InChIInChI=1S/C15H25NO/c1-15(2)13(11-7-8-17-14(11)15)16-12(9-3-4-9)10-5-6-10/h9-14,16H,3-8H2,1-2H3
InChIKeyHDIWVIZQQOUPBZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.58
Rot. Bonds4

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

N-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64863485) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64863485
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NC(C2CC2)C2CC2)C2CCOC21
InChIInChI=1S/C15H25NO/c1-15(2)13(11-7-8-17-14(11)15)16-12(9-3-4-9)10-5-6-10/h9-14,16H,3-8H2,1-2H3
InChIKeyHDIWVIZQQOUPBZ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64863485) is N-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NC(C2CC2)C2CC2)C2CCOC21.
What is the InChIKey of N-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is HDIWVIZQQOUPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2)13(11-7-8-17-14(11)15)16-12(9-3-4-9)10-5-6-10/h9-14,16H,3-8H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 235.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64863485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).