(5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C16H27N3O2 — CID 51969501

IUPAC(5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=C(C)CN(CC)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C16H27N3O2/c1-5-18(10-12(2)3)11-19-14(20)16(17-15(19)21)9-7-6-8-13(16)4/h13H,2,5-11H2,1,3-4H3,(H,17,21)/t13-,16-/m0/s1
InChIKeyFXCFDHWIRCIOMN-BBRMVZONSA-N
MW293.41 g/mol
LogP2.34
Rot. Bonds5

About (5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 51969501) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID51969501
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=C(C)CN(CC)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C16H27N3O2/c1-5-18(10-12(2)3)11-19-14(20)16(17-15(19)21)9-7-6-8-13(16)4/h13H,2,5-11H2,1,3-4H3,(H,17,21)/t13-,16-/m0/s1
InChIKeyFXCFDHWIRCIOMN-BBRMVZONSA-N
XLogP2.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31700734
3-[[cyclohexyl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17441994
6-methyl-3-propyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17429707
(5R,6S)-3-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31281288
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide
CID 78784211
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
(5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7565636
(5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 98432635
(5R,6S)-3-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 135754022
N,N-dimethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9208151
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-di(propan-2-yl)acetamide
CID 17390675
(5S)-3'-[[ethyl(2-methylprop-2-enyl)amino]methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 35939919

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 51969501) is (5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is C=C(C)CN(CC)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O.
What is the InChIKey of (5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is FXCFDHWIRCIOMN-BBRMVZONSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-18(10-12(2)3)11-19-14(20)16(17-15(19)21)9-7-6-8-13(16)4/h13H,2,5-11H2,1,3-4H3,(H,17,21)/t13-,16-/m0/s1.
What are the key properties of (5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 293.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 51969501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).