4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one

C14H23N3O — CID 79985558

IUPAC4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1CC(C)CC2(C1)C(N)=NC(=O)N2CC1CC1
InChIInChI=1S/C14H23N3O/c1-9-5-10(2)7-14(6-9)12(15)16-13(18)17(14)8-11-3-4-11/h9-11H,3-8H2,1-2H3,(H2,15,16,18)
InChIKeySXXWMIYQOXMPFA-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.38
Rot. Bonds2

About 4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79985558) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79985558
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1CC(C)CC2(C1)C(N)=NC(=O)N2CC1CC1
InChIInChI=1S/C14H23N3O/c1-9-5-10(2)7-14(6-9)12(15)16-13(18)17(14)8-11-3-4-11/h9-11H,3-8H2,1-2H3,(H2,15,16,18)
InChIKeySXXWMIYQOXMPFA-UHFFFAOYSA-N
XLogP2.38
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79985069
4-amino-1-(cyclopropylmethyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967350
4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79968201
4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79967360
4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967912
4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968039
4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one
CID 112739896
4-amino-1,8-diethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961824
4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79985561
8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 103565729
4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79961054
8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 106824969

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79985558) is 4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one is CC1CC(C)CC2(C1)C(N)=NC(=O)N2CC1CC1.
What is the InChIKey of 4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is SXXWMIYQOXMPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9-5-10(2)7-14(6-9)12(15)16-13(18)17(14)8-11-3-4-11/h9-11H,3-8H2,1-2H3,(H2,15,16,18).
What are the key properties of 4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79985558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).