1-(2-chloroethyl)-3,3-dimethylpyrrolidine

C8H16ClN — CID 18182640

IUPAC1-(2-chloroethyl)-3,3-dimethylpyrrolidine
SMILESCC1(C)CCN(CCCl)C1
InChIInChI=1S/C8H16ClN/c1-8(2)3-5-10(7-8)6-4-9/h3-7H2,1-2H3
InChIKeyVZKAAJDTNSUHTM-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.96
Rot. Bonds2

About 1-(2-chloroethyl)-3,3-dimethylpyrrolidine

1-(2-chloroethyl)-3,3-dimethylpyrrolidine (PubChem CID 18182640) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(2-chloroethyl)-3,3-dimethylpyrrolidine
PubChem CID18182640
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name1-(2-chloroethyl)-3,3-dimethylpyrrolidine
SMILESCC1(C)CCN(CCCl)C1
InChIInChI=1S/C8H16ClN/c1-8(2)3-5-10(7-8)6-4-9/h3-7H2,1-2H3
InChIKeyVZKAAJDTNSUHTM-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine
CID 142009512
1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride
CID 67197404
3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine
CID 126539787
2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane
CID 130137835
3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane
CID 144979676
1-(3-methoxybutyl)-3,3-dimethylpyrrolidine
CID 145296395
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 115277650
1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120
1-[(3,3-dimethylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 115825265
4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine
CID 177033063
3,3-dimethyl-1-(2-propylpentyl)pyrrolidine
CID 123859198
[2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine
CID 71649167

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3,3-dimethylpyrrolidine?
The IUPAC name of 1-(2-chloroethyl)-3,3-dimethylpyrrolidine (CID 18182640) is 1-(2-chloroethyl)-3,3-dimethylpyrrolidine.
What is the SMILES notation for 1-(2-chloroethyl)-3,3-dimethylpyrrolidine?
The canonical SMILES for 1-(2-chloroethyl)-3,3-dimethylpyrrolidine is CC1(C)CCN(CCCl)C1.
What is the InChIKey of 1-(2-chloroethyl)-3,3-dimethylpyrrolidine?
The InChIKey is VZKAAJDTNSUHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-8(2)3-5-10(7-8)6-4-9/h3-7H2,1-2H3.
What are the key properties of 1-(2-chloroethyl)-3,3-dimethylpyrrolidine?
1-(2-chloroethyl)-3,3-dimethylpyrrolidine has a molecular weight of 161.68 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3,3-dimethylpyrrolidine is sourced from PubChem (CID 18182640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).