4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine

C8H17N3O — CID 137489576

IUPAC4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine
SMILESCC1CCOC12CN(N)CC2N
InChIInChI=1S/C8H17N3O/c1-6-2-3-12-8(6)5-11(10)4-7(8)9/h6-7H,2-5,9-10H2,1H3
InChIKeyBBUCPKCJFLPZAR-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.70
Rot. Bonds

About 4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine

4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine (PubChem CID 137489576) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine.

Molecular Properties

Compound Name4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine
PubChem CID137489576
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine
SMILESCC1CCOC12CN(N)CC2N
InChIInChI=1S/C8H17N3O/c1-6-2-3-12-8(6)5-11(10)4-7(8)9/h6-7H,2-5,9-10H2,1H3
InChIKeyBBUCPKCJFLPZAR-UHFFFAOYSA-N
XLogP-0.70
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine?
The IUPAC name of 4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine (CID 137489576) is 4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine.
What is the SMILES notation for 4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine?
The canonical SMILES for 4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine is CC1CCOC12CN(N)CC2N.
What is the InChIKey of 4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine?
The InChIKey is BBUCPKCJFLPZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6-2-3-12-8(6)5-11(10)4-7(8)9/h6-7H,2-5,9-10H2,1H3.
What are the key properties of 4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine?
4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine has a molecular weight of 171.24 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine is sourced from PubChem (CID 137489576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).