N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine

C11H20BrN — CID 102860767

IUPACN-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine
SMILESBrCCN(CCC1CC1)C1CCC1
InChIInChI=1S/C11H20BrN/c12-7-9-13(11-2-1-3-11)8-6-10-4-5-10/h10-11H,1-9H2
InChIKeyBTZUZNUFDZEIIH-UHFFFAOYSA-N
MW246.19 g/mol
LogP3.04
Rot. Bonds6

About N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine

N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine (PubChem CID 102860767) has the molecular formula C11H20BrN and a molecular weight of 246.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine
PubChem CID102860767
Molecular FormulaC11H20BrN
Molecular Weight246.19 g/mol
Exact Mass245.08
IUPAC NameN-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine
SMILESBrCCN(CCC1CC1)C1CCC1
InChIInChI=1S/C11H20BrN/c12-7-9-13(11-2-1-3-11)8-6-10-4-5-10/h10-11H,1-9H2
InChIKeyBTZUZNUFDZEIIH-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine 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'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine
CID 102861077
N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine
CID 102860754
N-(2-bromoethyl)-N-(cyclobutylmethyl)cyclopentanamine
CID 80672742
N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine
CID 80674486
N-(2-bromoethyl)-N-pentylcyclobutanamine
CID 102860969
N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine
CID 80670025
N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
CID 114526677
N-(2-bromoethyl)-N-dodecylcyclobutanamine
CID 102860890
N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine
CID 107913798
N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine
CID 106731454
N-(2-bromoethyl)-N-prop-2-enylcyclopentanamine
CID 80672416
N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine
CID 106731144

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine?
The IUPAC name of N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine (CID 102860767) is N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine is BrCCN(CCC1CC1)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine?
The InChIKey is BTZUZNUFDZEIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN/c12-7-9-13(11-2-1-3-11)8-6-10-4-5-10/h10-11H,1-9H2.
What are the key properties of N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine?
N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine has a molecular weight of 246.19 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine is sourced from PubChem (CID 102860767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).