1-butyl-2-methylpyrrolidine;hydrobromide

C9H20BrN — CID 174642317

IUPAC1-butyl-2-methylpyrrolidine;hydrobromide
SMILESBr.CCCCN1CCCC1C
InChIInChI=1S/C9H19N.BrH/c1-3-4-7-10-8-5-6-9(10)2;/h9H,3-8H2,1-2H3;1H
InChIKeyLLZVLOJDEBBBAN-UHFFFAOYSA-N
MW222.17 g/mol
LogP2.85
Rot. Bonds3

About 1-butyl-2-methylpyrrolidine;hydrobromide

1-butyl-2-methylpyrrolidine;hydrobromide (PubChem CID 174642317) has the molecular formula C9H20BrN and a molecular weight of 222.17 g/mol. Its IUPAC name is 1-butyl-2-methylpyrrolidine;hydrobromide.

Molecular Properties

Compound Name1-butyl-2-methylpyrrolidine;hydrobromide
PubChem CID174642317
Molecular FormulaC9H20BrN
Molecular Weight222.17 g/mol
Exact Mass221.08
IUPAC Name1-butyl-2-methylpyrrolidine;hydrobromide
SMILESBr.CCCCN1CCCC1C
InChIInChI=1S/C9H19N.BrH/c1-3-4-7-10-8-5-6-9(10)2;/h9H,3-8H2,1-2H3;1H
InChIKeyLLZVLOJDEBBBAN-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine
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2-methyl-1-pentylazepane
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1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide
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1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane
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1-heptyl-2-methylpyrrolidine;methanesulfonic acid
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1-butyl-3-chloro-2-methylpiperidine
CID 85348788
(2R,3R)-1-butyl-3-chloro-2-methylpiperidine
CID 10997802
1-(5-chloropentyl)-2-methylpyrrolidine
CID 61288938
1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
1-butyl-2,6-dimethylazepane
CID 126990044
9-(2-methylpyrrolidin-1-yl)nonane-1-thiol
CID 105343993
(2S,3R)-1-butyl-3-chloro-2-methylpiperidine
CID 10965290

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methylpyrrolidine;hydrobromide?
The IUPAC name of 1-butyl-2-methylpyrrolidine;hydrobromide (CID 174642317) is 1-butyl-2-methylpyrrolidine;hydrobromide.
What is the SMILES notation for 1-butyl-2-methylpyrrolidine;hydrobromide?
The canonical SMILES for 1-butyl-2-methylpyrrolidine;hydrobromide is Br.CCCCN1CCCC1C.
What is the InChIKey of 1-butyl-2-methylpyrrolidine;hydrobromide?
The InChIKey is LLZVLOJDEBBBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.BrH/c1-3-4-7-10-8-5-6-9(10)2;/h9H,3-8H2,1-2H3;1H.
What are the key properties of 1-butyl-2-methylpyrrolidine;hydrobromide?
1-butyl-2-methylpyrrolidine;hydrobromide has a molecular weight of 222.17 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methylpyrrolidine;hydrobromide is sourced from PubChem (CID 174642317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).