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

C15H20ClN5 — CID 56665414

IUPAC5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(Cc2ccc(Cl)cc2)C(N)=N1
InChIInChI=1S/C15H20ClN5/c16-12-6-4-11(5-7-12)10-21-14(18)19-13(17)20-15(21)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H4,17,18,19,20)
InChIKeyWAWUHHUWNSTLOT-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.45
Rot. Bonds2

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

5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 56665414) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID56665414
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(Cc2ccc(Cl)cc2)C(N)=N1
InChIInChI=1S/C15H20ClN5/c16-12-6-4-11(5-7-12)10-21-14(18)19-13(17)20-15(21)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H4,17,18,19,20)
InChIKeyWAWUHHUWNSTLOT-UHFFFAOYSA-N
XLogP2.45
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 56665414) is 5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is NC1=NC2(CCCCC2)N(Cc2ccc(Cl)cc2)C(N)=N1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is WAWUHHUWNSTLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c16-12-6-4-11(5-7-12)10-21-14(18)19-13(17)20-15(21)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H4,17,18,19,20).
What are the key properties of 5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 305.81 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 56665414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).