1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine

C12H25BrN2 — CID 64995050

IUPAC1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC(C)CBr)C1
InChIInChI=1S/C12H25BrN2/c1-4-15(5-2)12-6-7-14(10-12)9-11(3)8-13/h11-12H,4-10H2,1-3H3
InChIKeyAWQWSYVLHHQYPP-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.43
Rot. Bonds6

About 1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine

1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 64995050) has the molecular formula C12H25BrN2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine
PubChem CID64995050
Molecular FormulaC12H25BrN2
Molecular Weight277.25 g/mol
Exact Mass276.12
IUPAC Name1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC(C)CBr)C1
InChIInChI=1S/C12H25BrN2/c1-4-15(5-2)12-6-7-14(10-12)9-11(3)8-13/h11-12H,4-10H2,1-3H3
InChIKeyAWQWSYVLHHQYPP-UHFFFAOYSA-N
XLogP2.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.43
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

1-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]propan-2-ol
CID 112561640
N,N-diethyl-1-[2-methyl-3-(methylamino)propyl]pyrrolidin-3-amine
CID 63166631
1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine
CID 63166714
1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine
CID 66223207
N,N-diethyl-1-[2-(ethylamino)pentyl]pyrrolidin-3-amine
CID 55160900
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746160
1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol
CID 111490042
1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746159
ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
CID 63165603
N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 63169385
1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine
CID 63628433
4-[2-[3-(diethylamino)pyrrolidin-1-yl]-1-hydroxyethyl]benzonitrile
CID 63169961

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine (CID 64995050) is 1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(CC(C)CBr)C1.
What is the InChIKey of 1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is AWQWSYVLHHQYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrN2/c1-4-15(5-2)12-6-7-14(10-12)9-11(3)8-13/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine?
1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 277.25 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 64995050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).