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

C9H18ClN — CID 23091634

IUPAC1-(3-chloropropyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1CCCCl
InChIInChI=1S/C9H18ClN/c1-9(2)5-3-7-11(9)8-4-6-10/h3-8H2,1-2H3
InChIKeyUPILWEJDBYSLHW-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.49
Rot. Bonds3

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

1-(3-chloropropyl)-2,2-dimethylpyrrolidine (PubChem CID 23091634) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 1-(3-chloropropyl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(3-chloropropyl)-2,2-dimethylpyrrolidine
PubChem CID23091634
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name1-(3-chloropropyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1CCCCl
InChIInChI=1S/C9H18ClN/c1-9(2)5-3-7-11(9)8-4-6-10/h3-8H2,1-2H3
InChIKeyUPILWEJDBYSLHW-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.49
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

5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one
CID 63217799
5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254003
N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine
CID 63219992
1-(2-isocyanoethyl)-2,2-dimethylpyrrolidine
CID 5137241
N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 63218242
5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine
CID 63220042
4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline
CID 115342109
6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine
CID 106799833
1-(3-chloropropyl)-4-methylazepan-4-ol
CID 107407609
5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 63217429
2-(4-chlorobutyl)-1,2-dimethylpyrrolidine
CID 175557059
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine
CID 63218289

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-2,2-dimethylpyrrolidine?
The IUPAC name of 1-(3-chloropropyl)-2,2-dimethylpyrrolidine (CID 23091634) is 1-(3-chloropropyl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-(3-chloropropyl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-(3-chloropropyl)-2,2-dimethylpyrrolidine is CC1(C)CCCN1CCCCl.
What is the InChIKey of 1-(3-chloropropyl)-2,2-dimethylpyrrolidine?
The InChIKey is UPILWEJDBYSLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c1-9(2)5-3-7-11(9)8-4-6-10/h3-8H2,1-2H3.
What are the key properties of 1-(3-chloropropyl)-2,2-dimethylpyrrolidine?
1-(3-chloropropyl)-2,2-dimethylpyrrolidine has a molecular weight of 175.70 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 23091634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).