3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine

C11H23ClN2 — CID 114800653

IUPAC3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCC(CCCl)C1
InChIInChI=1S/C11H23ClN2/c1-13(2)7-3-8-14-9-5-11(10-14)4-6-12/h11H,3-10H2,1-2H3
InChIKeyZZTPWOXMQVQXKS-UHFFFAOYSA-N
MW218.77 g/mol
LogP1.89
Rot. Bonds6

About 3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine

3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 114800653) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is 3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID114800653
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCC(CCCl)C1
InChIInChI=1S/C11H23ClN2/c1-13(2)7-3-8-14-9-5-11(10-14)4-6-12/h11H,3-10H2,1-2H3
InChIKeyZZTPWOXMQVQXKS-UHFFFAOYSA-N
XLogP1.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethyl)-1-(3-methylsulfanylpropyl)pyrrolidine
CID 114800524
1,3-bis(2-chloroethyl)pyrrolidine;hydrochloride
CID 69446979
(3R)-1-[3-(dimethylamino)propyl]pyrrolidin-3-amine
CID 92916692
N-[[1-[3-(dimethylamino)propyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512405
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine
CID 62512571
3-(2-chloroethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 114800614
N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine
CID 114526027
3-[3-(2-chloroethyl)pyrrolidin-1-yl]propanenitrile
CID 12612443
3-(2-chloroethyl)-1-(3-methoxy-3-methylbutyl)pyrrolidine
CID 103037292
1-[3-(dimethylamino)propyl]piperidin-4-ol
CID 82075263
1-[3-[3-(2-chloroethyl)pyrrolidin-1-yl]propyl]imidazole
CID 114800577
2-[[1-[3-(dimethylamino)propyl]piperidin-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 54060629

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine (CID 114800653) is 3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1CCC(CCCl)C1.
What is the InChIKey of 3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is ZZTPWOXMQVQXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2/c1-13(2)7-3-8-14-9-5-11(10-14)4-6-12/h11H,3-10H2,1-2H3.
What are the key properties of 3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 218.77 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114800653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).