N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine

C23H28N4 — CID 124818663

IUPACN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine
SMILESc1ccc(Cn2nc(CNC3CCCCCC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H28N4/c1-2-10-16-21(15-9-1)24-17-22-23(20-13-7-4-8-14-20)26-27(25-22)18-19-11-5-3-6-12-19/h3-8,11-14,21,24H,1-2,9-10,15-18H2
InChIKeyYVWQVKCANIZUBE-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.81
Rot. Bonds6

About N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine

N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine (PubChem CID 124818663) has the molecular formula C23H28N4 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine
PubChem CID124818663
Molecular FormulaC23H28N4
Molecular Weight360.50 g/mol
Exact Mass360.23
IUPAC NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine
SMILESc1ccc(Cn2nc(CNC3CCCCCC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H28N4/c1-2-10-16-21(15-9-1)24-17-22-23(20-13-7-4-8-14-20)26-27(25-22)18-19-11-5-3-6-12-19/h3-8,11-14,21,24H,1-2,9-10,15-18H2
InChIKeyYVWQVKCANIZUBE-UHFFFAOYSA-N
XLogP4.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
CID 124816332
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine
CID 124895872
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
CID 124781673
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine
CID 124805599
N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine
CID 94073947
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124814533
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine
CID 125114358
benzene;N-benzylcyclohexanamine
CID 142622843
(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684317
1-(1,3-benzodioxol-5-yl)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]methanamine
CID 124811710
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 124815871
(2R)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821453

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine?
The IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine (CID 124818663) is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine is c1ccc(Cn2nc(CNC3CCCCCC3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine?
The InChIKey is YVWQVKCANIZUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-2-10-16-21(15-9-1)24-17-22-23(20-13-7-4-8-14-20)26-27(25-22)18-19-11-5-3-6-12-19/h3-8,11-14,21,24H,1-2,9-10,15-18H2.
What are the key properties of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine?
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine has a molecular weight of 360.50 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine is sourced from PubChem (CID 124818663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).