4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one

C12H21N3O — CID 79959923

IUPAC4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCCC1CCC2(CC1)C(N)=NC(=O)N2C
InChIInChI=1S/C12H21N3O/c1-3-4-9-5-7-12(8-6-9)10(13)14-11(16)15(12)2/h9H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyMXMNJPPTVXDTHP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.14
Rot. Bonds2

About 4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79959923) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79959923
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCCC1CCC2(CC1)C(N)=NC(=O)N2C
InChIInChI=1S/C12H21N3O/c1-3-4-9-5-7-12(8-6-9)10(13)14-11(16)15(12)2/h9H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyMXMNJPPTVXDTHP-UHFFFAOYSA-N
XLogP2.14
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-methyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961075
4-amino-1,8-diethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961824
4-amino-5-cyclobutyl-5-ethyl-1-methylimidazol-2-one
CID 130654783
4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967294
4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79960902
4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967026
4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967912
4-amino-1-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960085
4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960281
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-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 114420905

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79959923) is 4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one is CCCC1CCC2(CC1)C(N)=NC(=O)N2C.
What is the InChIKey of 4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is MXMNJPPTVXDTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-9-5-7-12(8-6-9)10(13)14-11(16)15(12)2/h9H,3-8H2,1-2H3,(H2,13,14,16).
What are the key properties of 4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-8-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79959923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).