N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine

C13H25BrN2 — CID 79319761

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCN1CCCC1CN(C)CC1(CBr)CC1
InChIInChI=1S/C13H25BrN2/c1-3-16-8-4-5-12(16)9-15(2)11-13(10-14)6-7-13/h12H,3-11H2,1-2H3
InChIKeyXBJCPEYKBWASIH-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.58
Rot. Bonds6

About N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine

N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine (PubChem CID 79319761) has the molecular formula C13H25BrN2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
PubChem CID79319761
Molecular FormulaC13H25BrN2
Molecular Weight289.26 g/mol
Exact Mass288.12
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCN1CCCC1CN(C)CC1(CBr)CC1
InChIInChI=1S/C13H25BrN2/c1-3-16-8-4-5-12(16)9-15(2)11-13(10-14)6-7-13/h12H,3-11H2,1-2H3
InChIKeyXBJCPEYKBWASIH-UHFFFAOYSA-N
XLogP2.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine (CID 79319761) is N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine is CCN1CCCC1CN(C)CC1(CBr)CC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The InChIKey is XBJCPEYKBWASIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN2/c1-3-16-8-4-5-12(16)9-15(2)11-13(10-14)6-7-13/h12H,3-11H2,1-2H3.
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine has a molecular weight of 289.26 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79319761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).