7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C18H27N3 — CID 79499043

IUPAC7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1ccccc1N1C(N)=NCC12CC(C)CC(C)(C)C2
InChIInChI=1S/C18H27N3/c1-13-9-17(3,4)11-18(10-13)12-20-16(19)21(18)15-8-6-5-7-14(15)2/h5-8,13H,9-12H2,1-4H3,(H2,19,20)
InChIKeyKJXNEDWNTBBGTP-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.71
Rot. Bonds1

About 7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79499043) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79499043
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1ccccc1N1C(N)=NCC12CC(C)CC(C)(C)C2
InChIInChI=1S/C18H27N3/c1-13-9-17(3,4)11-18(10-13)12-20-16(19)21(18)15-8-6-5-7-14(15)2/h5-8,13H,9-12H2,1-4H3,(H2,19,20)
InChIKeyKJXNEDWNTBBGTP-UHFFFAOYSA-N
XLogP3.71
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79499043) is 7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is Cc1ccccc1N1C(N)=NCC12CC(C)CC(C)(C)C2.
What is the InChIKey of 7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is KJXNEDWNTBBGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13-9-17(3,4)11-18(10-13)12-20-16(19)21(18)15-8-6-5-7-14(15)2/h5-8,13H,9-12H2,1-4H3,(H2,19,20).
What are the key properties of 7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79499043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).