5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine

C16H23N3O — CID 103565678

IUPAC5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCOc1ccc(N2C(N)=NCC23CC(C(C)C)C3)cc1
InChIInChI=1S/C16H23N3O/c1-11(2)12-8-16(9-12)10-18-15(17)19(16)13-4-6-14(20-3)7-5-13/h4-7,11-12H,8-10H2,1-3H3,(H2,17,18)
InChIKeyKQMILHVCWMLBCZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.63
Rot. Bonds3

About 5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine

5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine (PubChem CID 103565678) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine
PubChem CID103565678
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCOc1ccc(N2C(N)=NCC23CC(C(C)C)C3)cc1
InChIInChI=1S/C16H23N3O/c1-11(2)12-8-16(9-12)10-18-15(17)19(16)13-4-6-14(20-3)7-5-13/h4-7,11-12H,8-10H2,1-3H3,(H2,17,18)
InChIKeyKQMILHVCWMLBCZ-UHFFFAOYSA-N
XLogP2.63
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The IUPAC name of 5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine (CID 103565678) is 5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine is COc1ccc(N2C(N)=NCC23CC(C(C)C)C3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The InChIKey is KQMILHVCWMLBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)12-8-16(9-12)10-18-15(17)19(16)13-4-6-14(20-3)7-5-13/h4-7,11-12H,8-10H2,1-3H3,(H2,17,18).
What are the key properties of 5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine has a molecular weight of 273.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine is sourced from PubChem (CID 103565678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).