8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

C13H23N3 — CID 79496585

IUPAC8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCCC(C)CC2
InChIInChI=1S/C13H23N3/c1-3-9-16-12(14)15-10-13(16)7-4-5-11(2)6-8-13/h3,11H,1,4-10H2,2H3,(H2,14,15)
InChIKeyIVONWCUCNMBVBU-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.14
Rot. Bonds2

About 8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79496585) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79496585
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCCC(C)CC2
InChIInChI=1S/C13H23N3/c1-3-9-16-12(14)15-10-13(16)7-4-5-11(2)6-8-13/h3,11H,1,4-10H2,2H3,(H2,14,15)
InChIKeyIVONWCUCNMBVBU-UHFFFAOYSA-N
XLogP2.14
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79496585) is 8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is C=CCN1C(N)=NCC12CCCC(C)CC2.
What is the InChIKey of 8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is IVONWCUCNMBVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-9-16-12(14)15-10-13(16)7-4-5-11(2)6-8-13/h3,11H,1,4-10H2,2H3,(H2,14,15).
What are the key properties of 8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79496585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).