1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C14H29BrN2 — CID 65015117

IUPAC1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1CC(CBr)C(C)(C)C
InChIInChI=1S/C14H29BrN2/c1-14(2,3)12(9-15)10-17-8-6-7-13(17)11-16(4)5/h12-13H,6-11H2,1-5H3
InChIKeyFBBUISNRSNZDMU-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.07
Rot. Bonds5

About 1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 65015117) has the molecular formula C14H29BrN2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID65015117
Molecular FormulaC14H29BrN2
Molecular Weight305.30 g/mol
Exact Mass304.15
IUPAC Name1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1CC(CBr)C(C)(C)C
InChIInChI=1S/C14H29BrN2/c1-14(2,3)12(9-15)10-17-8-6-7-13(17)11-16(4)5/h12-13H,6-11H2,1-5H3
InChIKeyFBBUISNRSNZDMU-UHFFFAOYSA-N
XLogP3.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.07
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-[2-(bromomethyl)-3,3-dimethylbutyl]-2-ethylpiperidine
CID 65015932
1-[2-(bromomethyl)-3,3-dimethylbutyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320287
(2S)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 103934614
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropan-2-amine
CID 62886469
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-amine
CID 62886971
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine
CID 62889374
1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine
CID 83831668
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114495592
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentan-2-ol
CID 62887965
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454779
1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 65005084
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropanoate
CID 62888613

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 65015117) is 1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1CC(CBr)C(C)(C)C.
What is the InChIKey of 1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is FBBUISNRSNZDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrN2/c1-14(2,3)12(9-15)10-17-8-6-7-13(17)11-16(4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 305.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 65015117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).