1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide

C8H17Br2N — CID 77189705

IUPAC1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide
SMILESBr.CC1CCCN1CCCBr
InChIInChI=1S/C8H16BrN.BrH/c1-8-4-2-6-10(8)7-3-5-9;/h8H,2-7H2,1H3;1H
InChIKeyKNLXHOCZOLTHBL-UHFFFAOYSA-N
MW287.04 g/mol
LogP2.83
Rot. Bonds3

About 1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide

1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide (PubChem CID 77189705) has the molecular formula C8H17Br2N and a molecular weight of 287.04 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide.

Molecular Properties

Compound Name1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide
PubChem CID77189705
Molecular FormulaC8H17Br2N
Molecular Weight287.04 g/mol
Exact Mass284.97
IUPAC Name1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide
SMILESBr.CC1CCCN1CCCBr
InChIInChI=1S/C8H16BrN.BrH/c1-8-4-2-6-10(8)7-3-5-9;/h8H,2-7H2,1H3;1H
InChIKeyKNLXHOCZOLTHBL-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 52.83
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

1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol
CID 159765495
1-(5-chloropentyl)-2-methylpyrrolidine
CID 61288938
9-(2-methylpyrrolidin-1-yl)nonane-1-thiol
CID 105343993
1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine
CID 69468960
2-methyl-1-pentylazepane
CID 134994557
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine
CID 165463199
1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine
CID 174654202
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide?
The IUPAC name of 1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide (CID 77189705) is 1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide.
What is the SMILES notation for 1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide?
The canonical SMILES for 1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide is Br.CC1CCCN1CCCBr.
What is the InChIKey of 1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide?
The InChIKey is KNLXHOCZOLTHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN.BrH/c1-8-4-2-6-10(8)7-3-5-9;/h8H,2-7H2,1H3;1H.
What are the key properties of 1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide?
1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide has a molecular weight of 287.04 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide is sourced from PubChem (CID 77189705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).