1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C13H24N4 — CID 79496900

IUPAC1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCN(CCC)CC2
InChIInChI=1S/C13H24N4/c1-3-7-16-9-5-13(6-10-16)11-15-12(14)17(13)8-4-2/h4H,2-3,5-11H2,1H3,(H2,14,15)
InChIKeyKQSFLGMMLBLRCP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.05
Rot. Bonds4

About 1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79496900) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79496900
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCN(CCC)CC2
InChIInChI=1S/C13H24N4/c1-3-7-16-9-5-13(6-10-16)11-15-12(14)17(13)8-4-2/h4H,2-3,5-11H2,1H3,(H2,14,15)
InChIKeyKQSFLGMMLBLRCP-UHFFFAOYSA-N
XLogP1.05
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79496900) is 1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is C=CCN1C(N)=NCC12CCN(CCC)CC2.
What is the InChIKey of 1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is KQSFLGMMLBLRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-7-16-9-5-13(6-10-16)11-15-12(14)17(13)8-4-2/h4H,2-3,5-11H2,1H3,(H2,14,15).
What are the key properties of 1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 236.36 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79496900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).