N-benzyl-2-cyclopentylideneethanamine

C14H19N — CID 23646102

IUPACN-benzyl-2-cyclopentylideneethanamine
SMILESC(CNCc1ccccc1)=C1CCCC1
InChIInChI=1S/C14H19N/c1-2-8-14(9-3-1)12-15-11-10-13-6-4-5-7-13/h1-3,8-10,15H,4-7,11-12H2
InChIKeyIFVQWJACCSBWAX-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.28
Rot. Bonds4

About N-benzyl-2-cyclopentylideneethanamine

N-benzyl-2-cyclopentylideneethanamine (PubChem CID 23646102) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-benzyl-2-cyclopentylideneethanamine.

Molecular Properties

Compound NameN-benzyl-2-cyclopentylideneethanamine
PubChem CID23646102
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-benzyl-2-cyclopentylideneethanamine
SMILESC(CNCc1ccccc1)=C1CCCC1
InChIInChI=1S/C14H19N/c1-2-8-14(9-3-1)12-15-11-10-13-6-4-5-7-13/h1-3,8-10,15H,4-7,11-12H2
InChIKeyIFVQWJACCSBWAX-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclopentylideneethanamine?
The IUPAC name of N-benzyl-2-cyclopentylideneethanamine (CID 23646102) is N-benzyl-2-cyclopentylideneethanamine.
What is the SMILES notation for N-benzyl-2-cyclopentylideneethanamine?
The canonical SMILES for N-benzyl-2-cyclopentylideneethanamine is C(CNCc1ccccc1)=C1CCCC1.
What is the InChIKey of N-benzyl-2-cyclopentylideneethanamine?
The InChIKey is IFVQWJACCSBWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-8-14(9-3-1)12-15-11-10-13-6-4-5-7-13/h1-3,8-10,15H,4-7,11-12H2.
What are the key properties of N-benzyl-2-cyclopentylideneethanamine?
N-benzyl-2-cyclopentylideneethanamine has a molecular weight of 201.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclopentylideneethanamine is sourced from PubChem (CID 23646102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).