1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine

C11H23BrN2 — CID 107913916

IUPAC1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
SMILESCN(CCN1CCCC1)C(C)(C)CBr
InChIInChI=1S/C11H23BrN2/c1-11(2,10-12)13(3)8-9-14-6-4-5-7-14/h4-10H2,1-3H3
InChIKeyFDMHHYUQBWWAPX-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.19
Rot. Bonds5

About 1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine

1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine (PubChem CID 107913916) has the molecular formula C11H23BrN2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
PubChem CID107913916
Molecular FormulaC11H23BrN2
Molecular Weight263.22 g/mol
Exact Mass262.10
IUPAC Name1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
SMILESCN(CCN1CCCC1)C(C)(C)CBr
InChIInChI=1S/C11H23BrN2/c1-11(2,10-12)13(3)8-9-14-6-4-5-7-14/h4-10H2,1-3H3
InChIKeyFDMHHYUQBWWAPX-UHFFFAOYSA-N
XLogP2.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
The IUPAC name of 1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine (CID 107913916) is 1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine.
What is the SMILES notation for 1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
The canonical SMILES for 1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine is CN(CCN1CCCC1)C(C)(C)CBr.
What is the InChIKey of 1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
The InChIKey is FDMHHYUQBWWAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2/c1-11(2,10-12)13(3)8-9-14-6-4-5-7-14/h4-10H2,1-3H3.
What are the key properties of 1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine has a molecular weight of 263.22 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine is sourced from PubChem (CID 107913916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).