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

C10H18N4 — CID 79497281

IUPAC1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCNCC2
InChIInChI=1S/C10H18N4/c1-2-7-14-9(11)13-8-10(14)3-5-12-6-4-10/h2,12H,1,3-8H2,(H2,11,13)
InChIKeyYQZHLWYGJXZUGZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP-0.08
Rot. Bonds2

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

1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79497281) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79497281
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCNCC2
InChIInChI=1S/C10H18N4/c1-2-7-14-9(11)13-8-10(14)3-5-12-6-4-10/h2,12H,1,3-8H2,(H2,11,13)
InChIKeyYQZHLWYGJXZUGZ-UHFFFAOYSA-N
XLogP-0.08
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
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-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79497281) is 1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is C=CCN1C(N)=NCC12CCNCC2.
What is the InChIKey of 1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is YQZHLWYGJXZUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-7-14-9(11)13-8-10(14)3-5-12-6-4-10/h2,12H,1,3-8H2,(H2,11,13).
What are the key properties of 1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 194.28 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79497281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).