N-(2-chloroethyl)-2-cyclopentylethanamine

C9H18ClN — CID 115215128

IUPACN-(2-chloroethyl)-2-cyclopentylethanamine
SMILESClCCNCCC1CCCC1
InChIInChI=1S/C9H18ClN/c10-6-8-11-7-5-9-3-1-2-4-9/h9,11H,1-8H2
InChIKeyVHIBYDAYDYLZFZ-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.40
Rot. Bonds5

About N-(2-chloroethyl)-2-cyclopentylethanamine

N-(2-chloroethyl)-2-cyclopentylethanamine (PubChem CID 115215128) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-cyclopentylethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-cyclopentylethanamine
PubChem CID115215128
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC NameN-(2-chloroethyl)-2-cyclopentylethanamine
SMILESClCCNCCC1CCCC1
InChIInChI=1S/C9H18ClN/c10-6-8-11-7-5-9-3-1-2-4-9/h9,11H,1-8H2
InChIKeyVHIBYDAYDYLZFZ-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-cyclopentylethanamine?
The IUPAC name of N-(2-chloroethyl)-2-cyclopentylethanamine (CID 115215128) is N-(2-chloroethyl)-2-cyclopentylethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2-cyclopentylethanamine?
The canonical SMILES for N-(2-chloroethyl)-2-cyclopentylethanamine is ClCCNCCC1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-2-cyclopentylethanamine?
The InChIKey is VHIBYDAYDYLZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c10-6-8-11-7-5-9-3-1-2-4-9/h9,11H,1-8H2.
What are the key properties of N-(2-chloroethyl)-2-cyclopentylethanamine?
N-(2-chloroethyl)-2-cyclopentylethanamine has a molecular weight of 175.70 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-cyclopentylethanamine is sourced from PubChem (CID 115215128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).