6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C13H23N3 — CID 79852712

IUPAC6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCCCC2(C)C
InChIInChI=1S/C13H23N3/c1-4-9-16-11(14)15-10-13(16)8-6-5-7-12(13,2)3/h4H,1,5-10H2,2-3H3,(H2,14,15)
InChIKeyQBSYSKJJSGAMET-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.14
Rot. Bonds2

About 6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79852712) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79852712
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCCCC2(C)C
InChIInChI=1S/C13H23N3/c1-4-9-16-11(14)15-10-13(16)8-6-5-7-12(13,2)3/h4H,1,5-10H2,2-3H3,(H2,14,15)
InChIKeyQBSYSKJJSGAMET-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 6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79852712) is 6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is C=CCN1C(N)=NCC12CCCCC2(C)C.
What is the InChIKey of 6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is QBSYSKJJSGAMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-9-16-11(14)15-10-13(16)8-6-5-7-12(13,2)3/h4H,1,5-10H2,2-3H3,(H2,14,15).
What are the key properties of 6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-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 6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79852712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).