1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine

C9H19ClN2 — CID 81475056

IUPAC1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(CCCl)CC1N(C)C
InChIInChI=1S/C9H19ClN2/c1-8-6-12(5-4-10)7-9(8)11(2)3/h8-9H,4-7H2,1-3H3
InChIKeyZLPVPIHAUAPNKP-UHFFFAOYSA-N
MW190.72 g/mol
LogP1.11
Rot. Bonds3

About 1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine

1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81475056) has the molecular formula C9H19ClN2 and a molecular weight of 190.72 g/mol. Its IUPAC name is 1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81475056
Molecular FormulaC9H19ClN2
Molecular Weight190.72 g/mol
Exact Mass190.12
IUPAC Name1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(CCCl)CC1N(C)C
InChIInChI=1S/C9H19ClN2/c1-8-6-12(5-4-10)7-9(8)11(2)3/h8-9H,4-7H2,1-3H3
InChIKeyZLPVPIHAUAPNKP-UHFFFAOYSA-N
XLogP1.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.72
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine (CID 81475056) is 1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(CCCl)CC1N(C)C.
What is the InChIKey of 1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is ZLPVPIHAUAPNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2/c1-8-6-12(5-4-10)7-9(8)11(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine?
1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 190.72 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81475056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).