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

C19H21ClN4 — CID 113248406

IUPAC7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESNC1=NCC2(CCN(Cc3ccccc3)C2)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN4/c20-16-6-8-17(9-7-16)24-18(21)22-13-19(24)10-11-23(14-19)12-15-4-2-1-3-5-15/h1-9H,10-14H2,(H2,21,22)
InChIKeyAOEOMGQKWQUVIK-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.12
Rot. Bonds3

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

7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine (PubChem CID 113248406) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine
PubChem CID113248406
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESNC1=NCC2(CCN(Cc3ccccc3)C2)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN4/c20-16-6-8-17(9-7-16)24-18(21)22-13-19(24)10-11-23(14-19)12-15-4-2-1-3-5-15/h1-9H,10-14H2,(H2,21,22)
InChIKeyAOEOMGQKWQUVIK-UHFFFAOYSA-N
XLogP3.12
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 79500976
1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79514380
1-(4-chlorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79521368
5-(4-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565712
1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
CID 130137250
1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79500013
1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine
CID 171593524
1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79501760
1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine
CID 53403180
1-(4-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521021
1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79506525
1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79502357

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine (CID 113248406) is 7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine is NC1=NCC2(CCN(Cc3ccccc3)C2)N1c1ccc(Cl)cc1.
What is the InChIKey of 7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The InChIKey is AOEOMGQKWQUVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c20-16-6-8-17(9-7-16)24-18(21)22-13-19(24)10-11-23(14-19)12-15-4-2-1-3-5-15/h1-9H,10-14H2,(H2,21,22).
What are the key properties of 7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine has a molecular weight of 340.86 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 113248406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).