4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one

C14H25N3O — CID 79959479

IUPAC4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCC(C)(C)CC2
InChIInChI=1S/C14H25N3O/c1-10(2)9-17-12(18)16-11(15)14(17)7-5-13(3,4)6-8-14/h10H,5-9H2,1-4H3,(H2,15,16,18)
InChIKeyFXNIUACFQFCCCN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.77
Rot. Bonds2

About 4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79959479) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79959479
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCC(C)(C)CC2
InChIInChI=1S/C14H25N3O/c1-10(2)9-17-12(18)16-11(15)14(17)7-5-13(3,4)6-8-14/h10H,5-9H2,1-4H3,(H2,15,16,18)
InChIKeyFXNIUACFQFCCCN-UHFFFAOYSA-N
XLogP2.77
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79959475
4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79961054
8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 103565729
4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959490
4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960511
4-amino-1-(cyclopropylmethyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967350
4-amino-1-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960085
4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967912
4-amino-1,8-diethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961824
4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 80700075
4-amino-1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79966909
4-amino-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967780

Frequently Asked Questions

What is the IUPAC name of 4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79959479) is 4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is CC(C)CN1C(=O)N=C(N)C12CCC(C)(C)CC2.
What is the InChIKey of 4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is FXNIUACFQFCCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)9-17-12(18)16-11(15)14(17)7-5-13(3,4)6-8-14/h10H,5-9H2,1-4H3,(H2,15,16,18).
What are the key properties of 4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79959479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).