3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide

C12H25N3O — CID 155267148

IUPAC3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide
SMILESCCC1(CC)NCC12CCNCC2.NC=O
InChIInChI=1S/C11H22N2.CH3NO/c1-3-11(4-2)10(9-13-11)5-7-12-8-6-10;2-1-3/h12-13H,3-9H2,1-2H3;1H,(H2,2,3)
InChIKeyAJWTZRJDZWCKKR-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.62
Rot. Bonds2

About 3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide

3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide (PubChem CID 155267148) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide.

Molecular Properties

Compound Name3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide
PubChem CID155267148
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide
SMILESCCC1(CC)NCC12CCNCC2.NC=O
InChIInChI=1S/C11H22N2.CH3NO/c1-3-11(4-2)10(9-13-11)5-7-12-8-6-10;2-1-3/h12-13H,3-9H2,1-2H3;1H,(H2,2,3)
InChIKeyAJWTZRJDZWCKKR-UHFFFAOYSA-N
XLogP0.62
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide?
The IUPAC name of 3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide (CID 155267148) is 3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide.
What is the SMILES notation for 3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide?
The canonical SMILES for 3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide is CCC1(CC)NCC12CCNCC2.NC=O.
What is the InChIKey of 3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide?
The InChIKey is AJWTZRJDZWCKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.CH3NO/c1-3-11(4-2)10(9-13-11)5-7-12-8-6-10;2-1-3/h12-13H,3-9H2,1-2H3;1H,(H2,2,3).
What are the key properties of 3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide?
3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide has a molecular weight of 227.35 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-2,7-diazaspiro[3.5]nonane;formamide is sourced from PubChem (CID 155267148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).