3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C15H25N3O2 — CID 103071664

IUPAC3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=C(CNC(C)C)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C15H25N3O2/c1-11(2)16-9-12(3)10-18-13(19)15(17-14(18)20)7-5-4-6-8-15/h11,16H,3-10H2,1-2H3,(H,17,20)
InChIKeyYGJHABRKHPMBIT-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.80
Rot. Bonds5

About 3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 103071664) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID103071664
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=C(CNC(C)C)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C15H25N3O2/c1-11(2)16-9-12(3)10-18-13(19)15(17-14(18)20)7-5-4-6-8-15/h11,16H,3-10H2,1-2H3,(H,17,20)
InChIKeyYGJHABRKHPMBIT-UHFFFAOYSA-N
XLogP1.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
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

3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 103065667
3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 103071770
5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione
CID 103071810
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 2583608
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid
CID 119349083
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-dimethylacetamide
CID 9208145
N-tert-butyl-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2578448
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17455990
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 4879409
3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione
CID 103072679
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(methylcarbamoyl)acetamide
CID 2633637

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 103071664) is 3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione is C=C(CNC(C)C)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is YGJHABRKHPMBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)16-9-12(3)10-18-13(19)15(17-14(18)20)7-5-4-6-8-15/h11,16H,3-10H2,1-2H3,(H,17,20).
What are the key properties of 3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 279.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 103071664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).