4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide

C13H22N4O — CID 13463998

IUPAC4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide
SMILESCCCCNC(=O)C1=NC2(CCCCC2)C(N)=N1
InChIInChI=1S/C13H22N4O/c1-2-3-9-15-11(18)10-16-12(14)13(17-10)7-5-4-6-8-13/h2-9H2,1H3,(H,15,18)(H2,14,16,17)
InChIKeySOUISEPEWQYKRD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.37
Rot. Bonds4

About 4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide

4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide (PubChem CID 13463998) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide
PubChem CID13463998
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide
SMILESCCCCNC(=O)C1=NC2(CCCCC2)C(N)=N1
InChIInChI=1S/C13H22N4O/c1-2-3-9-15-11(18)10-16-12(14)13(17-10)7-5-4-6-8-13/h2-9H2,1H3,(H,15,18)(H2,14,16,17)
InChIKeySOUISEPEWQYKRD-UHFFFAOYSA-N
XLogP1.37
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[amino-[1-(methylamino)cyclohexyl]methylidene]acetamide
CID 144063050
2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide
CID 63175477
2-[[amino(cyclohexyl)methylidene]amino]-N-propylacetamide
CID 63175478
2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide
CID 63175603
N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide
CID 63175783
2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide
CID 63175829
2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide
CID 63176099
2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide
CID 63176220
2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide
CID 63177781
2-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide
CID 63177900
2-[[amino(cyclohexyl)methylidene]amino]-N-methylpropanamide
CID 63178172
2-[[amino(cyclopentyl)methylidene]amino]-N-(2-methylpropyl)acetamide
CID 104381545

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide?
The IUPAC name of 4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide (CID 13463998) is 4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide?
The canonical SMILES for 4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide is CCCCNC(=O)C1=NC2(CCCCC2)C(N)=N1.
What is the InChIKey of 4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide?
The InChIKey is SOUISEPEWQYKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-3-9-15-11(18)10-16-12(14)13(17-10)7-5-4-6-8-13/h2-9H2,1H3,(H,15,18)(H2,14,16,17).
What are the key properties of 4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide?
4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide is sourced from PubChem (CID 13463998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).