N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine

C15H21N — CID 61364744

IUPACN-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine
SMILESc1ccc(CNCC2CC3CCC2C3)cc1
InChIInChI=1S/C15H21N/c1-2-4-12(5-3-1)10-16-11-15-9-13-6-7-14(15)8-13/h1-5,13-16H,6-11H2
InChIKeyPUVQGTWOSVULAN-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.21
Rot. Bonds4

About N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine

N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine (PubChem CID 61364744) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine
PubChem CID61364744
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine
SMILESc1ccc(CNCC2CC3CCC2C3)cc1
InChIInChI=1S/C15H21N/c1-2-4-12(5-3-1)10-16-11-15-9-13-6-7-14(15)8-13/h1-5,13-16H,6-11H2
InChIKeyPUVQGTWOSVULAN-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine?
The IUPAC name of N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine (CID 61364744) is N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine.
What is the SMILES notation for N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine?
The canonical SMILES for N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine is c1ccc(CNCC2CC3CCC2C3)cc1.
What is the InChIKey of N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine?
The InChIKey is PUVQGTWOSVULAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-4-12(5-3-1)10-16-11-15-9-13-6-7-14(15)8-13/h1-5,13-16H,6-11H2.
What are the key properties of N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine?
N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine has a molecular weight of 215.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)methanamine is sourced from PubChem (CID 61364744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).