4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one

C13H23N3O — CID 138388761

IUPAC4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCC(C)C(C)C2
InChIInChI=1S/C13H23N3O/c1-4-7-16-12(17)15-11(14)13(16)6-5-9(2)10(3)8-13/h9-10H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeySOWYSFCVQQNYNB-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.59
Rot. Bonds2

About 4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one

4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138388761) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138388761
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCC(C)C(C)C2
InChIInChI=1S/C13H23N3O/c1-4-7-16-12(17)15-11(14)13(16)6-5-9(2)10(3)8-13/h9-10H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeySOWYSFCVQQNYNB-UHFFFAOYSA-N
XLogP2.59
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138388762
4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389785
1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138391040
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389665
1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138390897
4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138389399
4-imino-8-methyl-1-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388849
4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one
CID 138389584
1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391051
4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138390466
6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389503
4-imino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138389710

Frequently Asked Questions

What is the IUPAC name of 4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one (CID 138388761) is 4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CCC)C12CCC(C)C(C)C2.
What is the InChIKey of 4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is SOWYSFCVQQNYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-7-16-12(17)15-11(14)13(16)6-5-9(2)10(3)8-13/h9-10H,4-8H2,1-3H3,(H2,14,15,17).
What are the key properties of 4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138388761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).