2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine

C9H19ClN2 — CID 116907508

IUPAC2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCN1CCC(C(CCl)N(C)C)C1
InChIInChI=1S/C9H19ClN2/c1-11(2)9(6-10)8-4-5-12(3)7-8/h8-9H,4-7H2,1-3H3
InChIKeyQHFDEEKBEYBHOH-UHFFFAOYSA-N
MW190.72 g/mol
LogP1.11
Rot. Bonds3

About 2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine

2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine (PubChem CID 116907508) has the molecular formula C9H19ClN2 and a molecular weight of 190.72 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine
PubChem CID116907508
Molecular FormulaC9H19ClN2
Molecular Weight190.72 g/mol
Exact Mass190.12
IUPAC Name2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCN1CCC(C(CCl)N(C)C)C1
InChIInChI=1S/C9H19ClN2/c1-11(2)9(6-10)8-4-5-12(3)7-8/h8-9H,4-7H2,1-3H3
InChIKeyQHFDEEKBEYBHOH-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'}

Analyze 2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol
CID 116857325
4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one
CID 116910588
2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116937646
N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine
CID 116911286
N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 82406005
2-chloro-N,N-dimethyl-1-(oxan-4-yl)ethanamine
CID 116907498
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
N',N'-dimethyl-2-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237610
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
3-(1,3-dichloropropan-2-yl)-1-methylazetidine
CID 155146553
N,N-dimethyl-1-(1-methylpiperidin-3-yl)-2-piperidin-3-ylethanamine
CID 116906863
4-(dimethylamino)-3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid
CID 116908186

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine (CID 116907508) is 2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine is CN1CCC(C(CCl)N(C)C)C1.
What is the InChIKey of 2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine?
The InChIKey is QHFDEEKBEYBHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2/c1-11(2)9(6-10)8-4-5-12(3)7-8/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine?
2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine 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 2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 116907508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).