9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine

C8H16N2O2 — CID 19883305

IUPAC9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine
SMILESCC1OC2(CCNC2)OCC1N
InChIInChI=1S/C8H16N2O2/c1-6-7(9)4-11-8(12-6)2-3-10-5-8/h6-7,10H,2-5,9H2,1H3
InChIKeyBQHUSLNUTJWRAM-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.56
Rot. Bonds

About 9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine

9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine (PubChem CID 19883305) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine
PubChem CID19883305
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine
SMILESCC1OC2(CCNC2)OCC1N
InChIInChI=1S/C8H16N2O2/c1-6-7(9)4-11-8(12-6)2-3-10-5-8/h6-7,10H,2-5,9H2,1H3
InChIKeyBQHUSLNUTJWRAM-UHFFFAOYSA-N
XLogP-0.56
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine?
The IUPAC name of 9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine (CID 19883305) is 9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for 9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine?
The canonical SMILES for 9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine is CC1OC2(CCNC2)OCC1N.
What is the InChIKey of 9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine?
The InChIKey is BQHUSLNUTJWRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6-7(9)4-11-8(12-6)2-3-10-5-8/h6-7,10H,2-5,9H2,1H3.
What are the key properties of 9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine?
9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine has a molecular weight of 172.23 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 19883305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).