N-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine

C15H30ClN — CID 55182600

IUPACN-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine
SMILESCCCCC(CC)CN(CCCl)C1CCCC1
InChIInChI=1S/C15H30ClN/c1-3-5-8-14(4-2)13-17(12-11-16)15-9-6-7-10-15/h14-15H,3-13H2,1-2H3
InChIKeyGIFBPOWJSHXBIM-UHFFFAOYSA-N
MW259.86 g/mol
LogP4.69
Rot. Bonds9

About N-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine

N-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine (PubChem CID 55182600) has the molecular formula C15H30ClN and a molecular weight of 259.86 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine
PubChem CID55182600
Molecular FormulaC15H30ClN
Molecular Weight259.86 g/mol
Exact Mass259.21
IUPAC NameN-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine
SMILESCCCCC(CC)CN(CCCl)C1CCCC1
InChIInChI=1S/C15H30ClN/c1-3-5-8-14(4-2)13-17(12-11-16)15-9-6-7-10-15/h14-15H,3-13H2,1-2H3
InChIKeyGIFBPOWJSHXBIM-UHFFFAOYSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.86
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine?
The IUPAC name of N-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine (CID 55182600) is N-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine is CCCCC(CC)CN(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine?
The InChIKey is GIFBPOWJSHXBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClN/c1-3-5-8-14(4-2)13-17(12-11-16)15-9-6-7-10-15/h14-15H,3-13H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine?
N-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine has a molecular weight of 259.86 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2-ethylhexyl)cyclopentanamine is sourced from PubChem (CID 55182600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).