N-(chloromethyl)-2-cyclopentylethanamine

C8H16ClN — CID 115263432

IUPACN-(chloromethyl)-2-cyclopentylethanamine
SMILESClCNCCC1CCCC1
InChIInChI=1S/C8H16ClN/c9-7-10-6-5-8-3-1-2-4-8/h8,10H,1-7H2
InChIKeyBIJYIUYJSBMSHA-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.35
Rot. Bonds4

About N-(chloromethyl)-2-cyclopentylethanamine

N-(chloromethyl)-2-cyclopentylethanamine (PubChem CID 115263432) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is N-(chloromethyl)-2-cyclopentylethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-2-cyclopentylethanamine
PubChem CID115263432
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC NameN-(chloromethyl)-2-cyclopentylethanamine
SMILESClCNCCC1CCCC1
InChIInChI=1S/C8H16ClN/c9-7-10-6-5-8-3-1-2-4-8/h8,10H,1-7H2
InChIKeyBIJYIUYJSBMSHA-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.35
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
N'-(2-cyclopentylethyl)ethane-1,2-diamine
CID 57274460
2-(2-cycloheptylethylamino)ethanol
CID 22723010
2-(2-cyclopentylethylamino)ethanol;hydrochloride
CID 22723115
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
3-(2-cycloheptylethylamino)propan-1-ol
CID 114457835
N'-[(2-cyclopentadecylethylamino)methyl]methanediamine
CID 155760547
2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 12017335

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-2-cyclopentylethanamine?
The IUPAC name of N-(chloromethyl)-2-cyclopentylethanamine (CID 115263432) is N-(chloromethyl)-2-cyclopentylethanamine.
What is the SMILES notation for N-(chloromethyl)-2-cyclopentylethanamine?
The canonical SMILES for N-(chloromethyl)-2-cyclopentylethanamine is ClCNCCC1CCCC1.
What is the InChIKey of N-(chloromethyl)-2-cyclopentylethanamine?
The InChIKey is BIJYIUYJSBMSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c9-7-10-6-5-8-3-1-2-4-8/h8,10H,1-7H2.
What are the key properties of N-(chloromethyl)-2-cyclopentylethanamine?
N-(chloromethyl)-2-cyclopentylethanamine has a molecular weight of 161.68 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-2-cyclopentylethanamine is sourced from PubChem (CID 115263432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).