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

C16H33BrN2 — CID 65005084

IUPAC1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCCCC(CBr)(CCC)CN1CCCC1CN(C)C
InChIInChI=1S/C16H33BrN2/c1-5-9-16(13-17,10-6-2)14-19-11-7-8-15(19)12-18(3)4/h15H,5-14H2,1-4H3
InChIKeyFDNDFOGSBLFXIW-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.99
Rot. Bonds9

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

1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 65005084) has the molecular formula C16H33BrN2 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID65005084
Molecular FormulaC16H33BrN2
Molecular Weight333.36 g/mol
Exact Mass332.18
IUPAC Name1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCCCC(CBr)(CCC)CN1CCCC1CN(C)C
InChIInChI=1S/C16H33BrN2/c1-5-9-16(13-17,10-6-2)14-19-11-7-8-15(19)12-18(3)4/h15H,5-14H2,1-4H3
InChIKeyFDNDFOGSBLFXIW-UHFFFAOYSA-N
XLogP3.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.99
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-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine
CID 62889896
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol
CID 62890251
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114495592
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454779
1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine
CID 65005316
1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 65015117
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62887647
[1-[2-propyl-2-(sulfanylmethyl)pentyl]azepan-2-yl]methanol
CID 116640621
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentan-2-ol
CID 62887965
4-[2-(bromomethyl)-2-propylpentyl]-3-methylthiomorpholine
CID 65005236
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 79319921
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64788594

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 65005084) is 1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CCCC(CBr)(CCC)CN1CCCC1CN(C)C.
What is the InChIKey of 1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is FDNDFOGSBLFXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33BrN2/c1-5-9-16(13-17,10-6-2)14-19-11-7-8-15(19)12-18(3)4/h15H,5-14H2,1-4H3.
What are the key properties of 1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 333.36 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 65005084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).