1-(4-bromobutyl)pyrrolidine;hydrobromide

C8H17Br2N — CID 71756026

IUPAC1-(4-bromobutyl)pyrrolidine;hydrobromide
SMILESBr.BrCCCCN1CCCC1
InChIInChI=1S/C8H16BrN.BrH/c9-5-1-2-6-10-7-3-4-8-10;/h1-8H2;1H
InChIKeySVGGSQFUZZWIQI-UHFFFAOYSA-N
MW287.04 g/mol
LogP2.84
Rot. Bonds4

About 1-(4-bromobutyl)pyrrolidine;hydrobromide

1-(4-bromobutyl)pyrrolidine;hydrobromide (PubChem CID 71756026) has the molecular formula C8H17Br2N and a molecular weight of 287.04 g/mol. Its IUPAC name is 1-(4-bromobutyl)pyrrolidine;hydrobromide.

Molecular Properties

Compound Name1-(4-bromobutyl)pyrrolidine;hydrobromide
PubChem CID71756026
Molecular FormulaC8H17Br2N
Molecular Weight287.04 g/mol
Exact Mass284.97
IUPAC Name1-(4-bromobutyl)pyrrolidine;hydrobromide
SMILESBr.BrCCCCN1CCCC1
InChIInChI=1S/C8H16BrN.BrH/c9-5-1-2-6-10-7-3-4-8-10;/h1-8H2;1H
InChIKeySVGGSQFUZZWIQI-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Bromopropyl)pyrrolidine hydrobromide
CID 20135920
1-(2-Bromoethyl)pyrrolidine hydrobromide
CID 20137485
1-(2-Bromoethyl)pyrrolidine
CID 12440780
1-(4-Bromobutyl)pyrrolidine
CID 22742030
(4-Bromobutyl)diethylamine hydrobromide
CID 73994695
4-Bromobutyl-triethylammonium bromide
CID 13552201
1-(3-Bromopropyl)pyrrolidine
CID 13034044
1-Ethyl-1-methylpyrrolidine bromide
CID 141485274
1-(3-Bromopropyl)pyrrolidine hydrochloride
CID 13034045
3-bromo-N,N-bis(3-bromopropyl)propan-1-amine
CID 15901499
1-(6-Bromohexyl)pyrrolidine
CID 20062539
Bromoethane;1-methylpyrrolidine
CID 20317801

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutyl)pyrrolidine;hydrobromide?
The IUPAC name of 1-(4-bromobutyl)pyrrolidine;hydrobromide (CID 71756026) is 1-(4-bromobutyl)pyrrolidine;hydrobromide.
What is the SMILES notation for 1-(4-bromobutyl)pyrrolidine;hydrobromide?
The canonical SMILES for 1-(4-bromobutyl)pyrrolidine;hydrobromide is Br.BrCCCCN1CCCC1.
What is the InChIKey of 1-(4-bromobutyl)pyrrolidine;hydrobromide?
The InChIKey is SVGGSQFUZZWIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN.BrH/c9-5-1-2-6-10-7-3-4-8-10;/h1-8H2;1H.
What are the key properties of 1-(4-bromobutyl)pyrrolidine;hydrobromide?
1-(4-bromobutyl)pyrrolidine;hydrobromide has a molecular weight of 287.04 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutyl)pyrrolidine;hydrobromide is sourced from PubChem (CID 71756026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).