spiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine

C12H18N4O — CID 175563889

IUPACspiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine
SMILESNC1c2c3c(nn2CC12CCNCC2)COC3
InChIInChI=1S/C12H18N4O/c13-11-10-8-5-17-6-9(8)15-16(10)7-12(11)1-3-14-4-2-12/h11,14H,1-7,13H2
InChIKeyJHGQJOUIRHCFCK-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.30
Rot. Bonds

About spiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine

spiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine (PubChem CID 175563889) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is spiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine.

Molecular Properties

Compound Namespiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine
PubChem CID175563889
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Namespiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine
SMILESNC1c2c3c(nn2CC12CCNCC2)COC3
InChIInChI=1S/C12H18N4O/c13-11-10-8-5-17-6-9(8)15-16(10)7-12(11)1-3-14-4-2-12/h11,14H,1-7,13H2
InChIKeyJHGQJOUIRHCFCK-UHFFFAOYSA-N
XLogP0.30
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of spiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine?
The IUPAC name of spiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine (CID 175563889) is spiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine.
What is the SMILES notation for spiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine?
The canonical SMILES for spiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine is NC1c2c3c(nn2CC12CCNCC2)COC3.
What is the InChIKey of spiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine?
The InChIKey is JHGQJOUIRHCFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-11-10-8-5-17-6-9(8)15-16(10)7-12(11)1-3-14-4-2-12/h11,14H,1-7,13H2.
What are the key properties of spiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine?
spiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine has a molecular weight of 234.30 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4-oxa-7,8-diazatricyclo[6.3.0.02,6]undeca-1,6-diene-10,4'-piperidine]-11-amine is sourced from PubChem (CID 175563889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).