5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C17H24N6 — CID 169377070

IUPAC5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2ccccc2NC2CC2)C(N)=N1
InChIInChI=1S/C17H24N6/c18-15-21-16(19)23(17(22-15)10-4-1-5-11-17)14-7-3-2-6-13(14)20-12-8-9-12/h2-3,6-7,12,20H,1,4-5,8-11H2,(H4,18,19,21,22)
InChIKeyISXKICGBSFPONC-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.37
Rot. Bonds3

About 5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169377070) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169377070
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2ccccc2NC2CC2)C(N)=N1
InChIInChI=1S/C17H24N6/c18-15-21-16(19)23(17(22-15)10-4-1-5-11-17)14-7-3-2-6-13(14)20-12-8-9-12/h2-3,6-7,12,20H,1,4-5,8-11H2,(H4,18,19,21,22)
InChIKeyISXKICGBSFPONC-UHFFFAOYSA-N
XLogP2.37
TPSA92.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169377070) is 5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is NC1=NC2(CCCCC2)N(c2ccccc2NC2CC2)C(N)=N1.
What is the InChIKey of 5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is ISXKICGBSFPONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c18-15-21-16(19)23(17(22-15)10-4-1-5-11-17)14-7-3-2-6-13(14)20-12-8-9-12/h2-3,6-7,12,20H,1,4-5,8-11H2,(H4,18,19,21,22).
What are the key properties of 5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 312.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169377070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).