N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine

C14H13N — CID 68819866

IUPACN-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine
SMILESc1ccc(CNC2c3ccccc32)cc1
InChIInChI=1S/C14H13N/c1-2-6-11(7-3-1)10-15-14-12-8-4-5-9-13(12)14/h1-9,14-15H,10H2
InChIKeyHJEKCEGQBKIGHO-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.88
Rot. Bonds3

About N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine

N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine (PubChem CID 68819866) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine.

Molecular Properties

Compound NameN-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine
PubChem CID68819866
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC NameN-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine
SMILESc1ccc(CNC2c3ccccc32)cc1
InChIInChI=1S/C14H13N/c1-2-6-11(7-3-1)10-15-14-12-8-4-5-9-13(12)14/h1-9,14-15H,10H2
InChIKeyHJEKCEGQBKIGHO-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine?
The IUPAC name of N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine (CID 68819866) is N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine.
What is the SMILES notation for N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine?
The canonical SMILES for N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine is c1ccc(CNC2c3ccccc32)cc1.
What is the InChIKey of N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine?
The InChIKey is HJEKCEGQBKIGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-6-11(7-3-1)10-15-14-12-8-4-5-9-13(12)14/h1-9,14-15H,10H2.
What are the key properties of N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine?
N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine has a molecular weight of 195.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine is sourced from PubChem (CID 68819866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).