1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine

C14H19N3 — CID 79504947

IUPAC1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCc1ccc(N2C(N)=NCC23CCCC3)cc1
InChIInChI=1S/C14H19N3/c1-11-4-6-12(7-5-11)17-13(15)16-10-14(17)8-2-3-9-14/h4-7H,2-3,8-10H2,1H3,(H2,15,16)
InChIKeyIPUBLYXOFKYRCL-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.44
Rot. Bonds1

About 1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine

1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79504947) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79504947
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCc1ccc(N2C(N)=NCC23CCCC3)cc1
InChIInChI=1S/C14H19N3/c1-11-4-6-12(7-5-11)17-13(15)16-10-14(17)8-2-3-9-14/h4-7H,2-3,8-10H2,1H3,(H2,15,16)
InChIKeyIPUBLYXOFKYRCL-UHFFFAOYSA-N
XLogP2.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79504947) is 1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine is Cc1ccc(N2C(N)=NCC23CCCC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is IPUBLYXOFKYRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-4-6-12(7-5-11)17-13(15)16-10-14(17)8-2-3-9-14/h4-7H,2-3,8-10H2,1H3,(H2,15,16).
What are the key properties of 1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79504947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).