1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine

C15H19ClN4 — CID 79500976

IUPAC1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESNC1=NCC2(CCN(C3CC3)C2)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4/c16-11-1-3-13(4-2-11)20-14(17)18-9-15(20)7-8-19(10-15)12-5-6-12/h1-4,12H,5-10H2,(H2,17,18)
InChIKeyOACZPORIAZYYEO-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.08
Rot. Bonds2

About 1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine

1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine (PubChem CID 79500976) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
PubChem CID79500976
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESNC1=NCC2(CCN(C3CC3)C2)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4/c16-11-1-3-13(4-2-11)20-14(17)18-9-15(20)7-8-19(10-15)12-5-6-12/h1-4,12H,5-10H2,(H2,17,18)
InChIKeyOACZPORIAZYYEO-UHFFFAOYSA-N
XLogP2.08
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine (CID 79500976) is 1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine is NC1=NCC2(CCN(C3CC3)C2)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The InChIKey is OACZPORIAZYYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c16-11-1-3-13(4-2-11)20-14(17)18-9-15(20)7-8-19(10-15)12-5-6-12/h1-4,12H,5-10H2,(H2,17,18).
What are the key properties of 1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine has a molecular weight of 290.80 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79500976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).