(6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C17H29N3O2 — CID 31700734

IUPAC(6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=C(C)CN(CC)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C
InChIInChI=1S/C17H29N3O2/c1-6-19(10-12(2)3)11-20-15(21)17(18-16(20)22)13(4)8-7-9-14(17)5/h13-14H,2,6-11H2,1,3-5H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyREKPAHCRPKBWJU-KBPBESRZSA-N
MW307.44 g/mol
LogP2.59
Rot. Bonds5

About (6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

(6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 31700734) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID31700734
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=C(C)CN(CC)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C
InChIInChI=1S/C17H29N3O2/c1-6-19(10-12(2)3)11-20-15(21)17(18-16(20)22)13(4)8-7-9-14(17)5/h13-14H,2,6-11H2,1,3-5H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyREKPAHCRPKBWJU-KBPBESRZSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.59
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

(5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51969501
(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
4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid
CID 77005756
(6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31818101
6,10-dimethyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42890891
5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione
CID 56822829
3-[[cyclohexyl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17441994
(5R,6S)-3-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31281288
methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 98856515
(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
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide
CID 78784211
3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78867246

Frequently Asked Questions

What is the IUPAC name of (6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 31700734) is (6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is C=C(C)CN(CC)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C.
What is the InChIKey of (6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is REKPAHCRPKBWJU-KBPBESRZSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-6-19(10-12(2)3)11-20-15(21)17(18-16(20)22)13(4)8-7-9-14(17)5/h13-14H,2,6-11H2,1,3-5H3,(H,18,22)/t13-,14-/m0/s1.
What are the key properties of (6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 307.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 31700734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).