N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine

C7H15BrN2 — CID 115261820

IUPACN-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CCC(N(C)CBr)C1
InChIInChI=1S/C7H15BrN2/c1-9-4-3-7(5-9)10(2)6-8/h7H,3-6H2,1-2H3
InChIKeyNCVAXBREIWWDAN-UHFFFAOYSA-N
MW207.11 g/mol
LogP0.97
Rot. Bonds2

About N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine

N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine (PubChem CID 115261820) has the molecular formula C7H15BrN2 and a molecular weight of 207.11 g/mol. Its IUPAC name is N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
PubChem CID115261820
Molecular FormulaC7H15BrN2
Molecular Weight207.11 g/mol
Exact Mass206.04
IUPAC NameN-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CCC(N(C)CBr)C1
InChIInChI=1S/C7H15BrN2/c1-9-4-3-7(5-9)10(2)6-8/h7H,3-6H2,1-2H3
InChIKeyNCVAXBREIWWDAN-UHFFFAOYSA-N
XLogP0.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine
CID 118516090
N-[(1-aminocyclopropyl)methyl]-N,1-dimethylpyrrolidin-3-amine
CID 115256600
N-methanidyl-N,1-dimethylpyrrolidin-3-amine
CID 21039801
N,1-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolidin-3-amine
CID 145256619
N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115202508
4-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-one
CID 115240121
ethane;N-methyl-N-(1-methylpyrrolidin-3-yl)formamide
CID 143070615
N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115204376
N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine
CID 130650445
N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 83844779

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine (CID 115261820) is N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine is CN1CCC(N(C)CBr)C1.
What is the InChIKey of N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is NCVAXBREIWWDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrN2/c1-9-4-3-7(5-9)10(2)6-8/h7H,3-6H2,1-2H3.
What are the key properties of N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine?
N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 207.11 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 115261820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).