2-chloroethyl(cyclopentylmethyl)azanium chloride

C8H17Cl2N — CID 18316280

IUPAC2-chloroethyl(cyclopentylmethyl)azanium chloride
SMILESClCC[NH2+]CC1CCCC1.[Cl-]
InChIInChI=1S/C8H16ClN.ClH/c9-5-6-10-7-8-3-1-2-4-8;/h8,10H,1-7H2;1H
InChIKeyCWQYZCSWCNUPIX-UHFFFAOYSA-N
MW198.14 g/mol
LogP-2.02
Rot. Bonds4

About 2-chloroethyl(cyclopentylmethyl)azanium chloride

2-chloroethyl(cyclopentylmethyl)azanium chloride (PubChem CID 18316280) has the molecular formula C8H17Cl2N and a molecular weight of 198.14 g/mol. Its IUPAC name is 2-chloroethyl(cyclopentylmethyl)azanium chloride.

Molecular Properties

Compound Name2-chloroethyl(cyclopentylmethyl)azanium chloride
PubChem CID18316280
Molecular FormulaC8H17Cl2N
Molecular Weight198.14 g/mol
Exact Mass197.07
IUPAC Name2-chloroethyl(cyclopentylmethyl)azanium chloride
SMILESClCC[NH2+]CC1CCCC1.[Cl-]
InChIInChI=1S/C8H16ClN.ClH/c9-5-6-10-7-8-3-1-2-4-8;/h8,10H,1-7H2;1H
InChIKeyCWQYZCSWCNUPIX-UHFFFAOYSA-N
XLogP-2.02
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-2.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

GD 131 hydrochloride
CID 30745
N-[(2-chlorocyclopentyl)methyl]-3-fluoropropan-1-amine
CID 81112983
N-[(3-chlorocyclopentyl)methyl]-3-fluoropropan-1-amine
CID 106120927
2-chloro-N-(cyclohexylmethyl)ethanamine;hydrochloride
CID 16202803
2-chloro-N-(cyclohexylmethyl)ethanamine
CID 16202804
N-cycloheptylmethyl-N-(2-chloroethyl)ammonium chloride
CID 18316106
2-chloro-N-(cyclopentylmethyl)ethanamine
CID 18316281
N-cyclohexylmethyl-N-(2-chloroethyl)ammonium chloride
CID 18316318
N-(2-chloroethyl)-N-(cyclododecylmethyl)ammonium chloride
CID 18316386
2-chloro-N-(cyclododecylmethyl)ethanamine
CID 18316387
N-(2-chloroethyl)-2-cyclopentylethanamine
CID 115215128
5-chloro-N-(5-chloro-2-ethylpentyl)-2-ethylpentan-1-amine
CID 167270945

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl(cyclopentylmethyl)azanium chloride?
The IUPAC name of 2-chloroethyl(cyclopentylmethyl)azanium chloride (CID 18316280) is 2-chloroethyl(cyclopentylmethyl)azanium chloride.
What is the SMILES notation for 2-chloroethyl(cyclopentylmethyl)azanium chloride?
The canonical SMILES for 2-chloroethyl(cyclopentylmethyl)azanium chloride is ClCC[NH2+]CC1CCCC1.[Cl-].
What is the InChIKey of 2-chloroethyl(cyclopentylmethyl)azanium chloride?
The InChIKey is CWQYZCSWCNUPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN.ClH/c9-5-6-10-7-8-3-1-2-4-8;/h8,10H,1-7H2;1H.
What are the key properties of 2-chloroethyl(cyclopentylmethyl)azanium chloride?
2-chloroethyl(cyclopentylmethyl)azanium chloride has a molecular weight of 198.14 g/mol, XLogP of -2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl(cyclopentylmethyl)azanium chloride is sourced from PubChem (CID 18316280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).