N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

C14H25NO — CID 115776651

IUPACN-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESCC(C)CNC1C2CCOC2C12CCCC2
InChIInChI=1S/C14H25NO/c1-10(2)9-15-12-11-5-8-16-13(11)14(12)6-3-4-7-14/h10-13,15H,3-9H2,1-2H3
InChIKeyIJQOJLADDWOGHI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds3

About N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (PubChem CID 115776651) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
PubChem CID115776651
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESCC(C)CNC1C2CCOC2C12CCCC2
InChIInChI=1S/C14H25NO/c1-10(2)9-15-12-11-5-8-16-13(11)14(12)6-3-4-7-14/h10-13,15H,3-9H2,1-2H3
InChIKeyIJQOJLADDWOGHI-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
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-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The IUPAC name of N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (CID 115776651) is N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.
What is the SMILES notation for N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The canonical SMILES for N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is CC(C)CNC1C2CCOC2C12CCCC2.
What is the InChIKey of N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The InChIKey is IJQOJLADDWOGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10(2)9-15-12-11-5-8-16-13(11)14(12)6-3-4-7-14/h10-13,15H,3-9H2,1-2H3.
What are the key properties of N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine has a molecular weight of 223.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is sourced from PubChem (CID 115776651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).