8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C15H21N3 — CID 79515126

IUPAC8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CCC2(CC1)CN=C(N)N2c1ccccc1
InChIInChI=1S/C15H21N3/c1-12-7-9-15(10-8-12)11-17-14(16)18(15)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H2,16,17)
InChIKeyGCIRJUGFQBAWES-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.77
Rot. Bonds1

About 8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79515126) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79515126
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CCC2(CC1)CN=C(N)N2c1ccccc1
InChIInChI=1S/C15H21N3/c1-12-7-9-15(10-8-12)11-17-14(16)18(15)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H2,16,17)
InChIKeyGCIRJUGFQBAWES-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79515126) is 8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1CCC2(CC1)CN=C(N)N2c1ccccc1.
What is the InChIKey of 8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is GCIRJUGFQBAWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-7-9-15(10-8-12)11-17-14(16)18(15)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H2,16,17).
What are the key properties of 8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79515126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).