7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane

C12H24N2O — CID 134351427

IUPAC7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCOCCCN1CCC2(CC1)CN(C)C2
InChIInChI=1S/C12H24N2O/c1-13-10-12(11-13)4-7-14(8-5-12)6-3-9-15-2/h3-11H2,1-2H3
InChIKeyNWWUWIHJTXSRNQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.05
Rot. Bonds4

About 7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane

7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 134351427) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID134351427
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCOCCCN1CCC2(CC1)CN(C)C2
InChIInChI=1S/C12H24N2O/c1-13-10-12(11-13)4-7-14(8-5-12)6-3-9-15-2/h3-11H2,1-2H3
InChIKeyNWWUWIHJTXSRNQ-UHFFFAOYSA-N
XLogP1.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane (CID 134351427) is 7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane is COCCCN1CCC2(CC1)CN(C)C2.
What is the InChIKey of 7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is NWWUWIHJTXSRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13-10-12(11-13)4-7-14(8-5-12)6-3-9-15-2/h3-11H2,1-2H3.
What are the key properties of 7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane?
7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 212.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 134351427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).