3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine

C12H25BrN2 — CID 114526692

IUPAC3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCCC1CCCBr
InChIInChI=1S/C12H25BrN2/c1-14(2)9-5-11-15-10-4-7-12(15)6-3-8-13/h12H,3-11H2,1-2H3
InChIKeySWJBRCNHISSRMG-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.58
Rot. Bonds7

About 3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine

3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 114526692) has the molecular formula C12H25BrN2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID114526692
Molecular FormulaC12H25BrN2
Molecular Weight277.25 g/mol
Exact Mass276.12
IUPAC Name3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCCC1CCCBr
InChIInChI=1S/C12H25BrN2/c1-14(2)9-5-11-15-10-4-7-12(15)6-3-8-13/h12H,3-11H2,1-2H3
InChIKeySWJBRCNHISSRMG-UHFFFAOYSA-N
XLogP2.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.58
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

2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine
CID 80691753
2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413123
2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 106731203
9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
CID 105343821
1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine
CID 165463199
2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 80690357
1-[1-[3-(dimethylamino)propyl]azepan-2-yl]propan-2-one
CID 114525397
N,N-dimethyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 142889902
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride
CID 87173008
1-[2-[2-(3-bromopropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80691757
3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
CID 114526736

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine (CID 114526692) is 3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1CCCC1CCCBr.
What is the InChIKey of 3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is SWJBRCNHISSRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrN2/c1-14(2)9-5-11-15-10-4-7-12(15)6-3-8-13/h12H,3-11H2,1-2H3.
What are the key properties of 3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 277.25 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114526692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).