3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C14H25N3O2 — CID 43428369

IUPAC3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC(CCN)N1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C14H25N3O2/c1-3-11(6-9-15)17-12(18)14(16-13(17)19)7-4-10(2)5-8-14/h10-11H,3-9,15H2,1-2H3,(H,16,19)
InChIKeyGQVLQXUOUZWORE-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.61
Rot. Bonds4

About 3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 43428369) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID43428369
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC(CCN)N1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C14H25N3O2/c1-3-11(6-9-15)17-12(18)14(16-13(17)19)7-4-10(2)5-8-14/h10-11H,3-9,15H2,1-2H3,(H,16,19)
InChIKeyGQVLQXUOUZWORE-UHFFFAOYSA-N
XLogP1.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-aminopentan-3-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43329355
3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
3-[[1-(2-aminoethyl)cyclopropyl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 65481158
3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 166023004
4-(1-aminopentan-3-yl)morpholine-3,5-dione
CID 61312119
3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61289943
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetaldehyde
CID 62025356
3-(3-bromo-2-methylpropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 64995610
3-(cyclohexylmethyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170081
3-(3-hydroxypropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509771
3-[2-(bromomethyl)-3-methylbutyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 65011638
3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4884645

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 43428369) is 3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CCC(CCN)N1C(=O)NC2(CCC(C)CC2)C1=O.
What is the InChIKey of 3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is GQVLQXUOUZWORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-11(6-9-15)17-12(18)14(16-13(17)19)7-4-10(2)5-8-14/h10-11H,3-9,15H2,1-2H3,(H,16,19).
What are the key properties of 3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 267.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 43428369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).