N-benzylcyclopropanamine

C10H13N — CID 25866

IUPACN-benzylcyclopropanamine
SMILESc1ccc(CNC2CC2)cc1
InChIInChI=1S/C10H13N/c1-2-4-9(5-3-1)8-11-10-6-7-10/h1-5,10-11H,6-8H2
InChIKeyUSBAUXJPPHVCTF-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.94
Rot. Bonds3

About N-benzylcyclopropanamine

N-benzylcyclopropanamine (PubChem CID 25866) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-benzylcyclopropanamine.

Molecular Properties

Compound NameN-benzylcyclopropanamine
PubChem CID25866
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-benzylcyclopropanamine
SMILESc1ccc(CNC2CC2)cc1
InChIInChI=1S/C10H13N/c1-2-4-9(5-3-1)8-11-10-6-7-10/h1-5,10-11H,6-8H2
InChIKeyUSBAUXJPPHVCTF-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzylcyclopropanamine?
The IUPAC name of N-benzylcyclopropanamine (CID 25866) is N-benzylcyclopropanamine.
What is the SMILES notation for N-benzylcyclopropanamine?
The canonical SMILES for N-benzylcyclopropanamine is c1ccc(CNC2CC2)cc1.
What is the InChIKey of N-benzylcyclopropanamine?
The InChIKey is USBAUXJPPHVCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-4-9(5-3-1)8-11-10-6-7-10/h1-5,10-11H,6-8H2.
What are the key properties of N-benzylcyclopropanamine?
N-benzylcyclopropanamine has a molecular weight of 147.22 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylcyclopropanamine is sourced from PubChem (CID 25866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).