1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine

C18H20N4 — CID 175834142

IUPAC1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine
SMILESc1ccc(CNC2(Cn3nnc4ccccc43)CCC2)cc1
InChIInChI=1S/C18H20N4/c1-2-7-15(8-3-1)13-19-18(11-6-12-18)14-22-17-10-5-4-9-16(17)20-21-22/h1-5,7-10,19H,6,11-14H2
InChIKeyMSBWHDWEXVCXOT-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.14
Rot. Bonds5

About 1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine

1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine (PubChem CID 175834142) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine
PubChem CID175834142
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine
SMILESc1ccc(CNC2(Cn3nnc4ccccc43)CCC2)cc1
InChIInChI=1S/C18H20N4/c1-2-7-15(8-3-1)13-19-18(11-6-12-18)14-22-17-10-5-4-9-16(17)20-21-22/h1-5,7-10,19H,6,11-14H2
InChIKeyMSBWHDWEXVCXOT-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine?
The IUPAC name of 1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine (CID 175834142) is 1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine.
What is the SMILES notation for 1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine?
The canonical SMILES for 1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine is c1ccc(CNC2(Cn3nnc4ccccc43)CCC2)cc1.
What is the InChIKey of 1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine?
The InChIKey is MSBWHDWEXVCXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-7-15(8-3-1)13-19-18(11-6-12-18)14-22-17-10-5-4-9-16(17)20-21-22/h1-5,7-10,19H,6,11-14H2.
What are the key properties of 1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine?
1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-ylmethyl)-N-benzylcyclobutan-1-amine is sourced from PubChem (CID 175834142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).