1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C15H21N3 — CID 79505673

IUPAC1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1cccc(N2C(N)=NCC23CCCCC3)c1
InChIInChI=1S/C15H21N3/c1-12-6-5-7-13(10-12)18-14(16)17-11-15(18)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H2,16,17)
InChIKeyDKFKEYIPGWPBLU-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.83
Rot. Bonds1

About 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79505673) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79505673
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1cccc(N2C(N)=NCC23CCCCC3)c1
InChIInChI=1S/C15H21N3/c1-12-6-5-7-13(10-12)18-14(16)17-11-15(18)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H2,16,17)
InChIKeyDKFKEYIPGWPBLU-UHFFFAOYSA-N
XLogP2.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79505673) is 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is Cc1cccc(N2C(N)=NCC23CCCCC3)c1.
What is the InChIKey of 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is DKFKEYIPGWPBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-6-5-7-13(10-12)18-14(16)17-11-15(18)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H2,16,17).
What are the key properties of 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79505673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).