N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine

C10H18BrN — CID 107901105

IUPACN-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine
SMILESCC(C)=CCN(CCBr)C1CC1
InChIInChI=1S/C10H18BrN/c1-9(2)5-7-12(8-6-11)10-3-4-10/h5,10H,3-4,6-8H2,1-2H3
InChIKeyAHXMSPBFFQCEDJ-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.81
Rot. Bonds5

About N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine

N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine (PubChem CID 107901105) has the molecular formula C10H18BrN and a molecular weight of 232.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine
PubChem CID107901105
Molecular FormulaC10H18BrN
Molecular Weight232.16 g/mol
Exact Mass231.06
IUPAC NameN-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine
SMILESCC(C)=CCN(CCBr)C1CC1
InChIInChI=1S/C10H18BrN/c1-9(2)5-7-12(8-6-11)10-3-4-10/h5,10H,3-4,6-8H2,1-2H3
InChIKeyAHXMSPBFFQCEDJ-UHFFFAOYSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Bromoethyl-dimethyl-(3-methylbut-2-enyl)azanium
CID 12567866
N-(2-bromoethyl)-N-[(E)-but-2-enyl]cyclopropanamine
CID 107897728
(E)-N-(3-bromopropyl)-N-propan-2-ylbut-2-en-1-amine
CID 107897745
N-(2-bromoethyl)-N-[(E)-but-2-enyl]pentan-3-amine
CID 107897747
N-(2-bromoethyl)-3-methyl-N-propan-2-ylbut-2-en-1-amine
CID 107901099
N-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine
CID 107901101
N-(2-bromoethyl)-N-butyl-3-methylbut-2-en-1-amine
CID 107901115
N-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine
CID 107901121
N-(2-bromoethyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 107901127
N-(2-bromoethyl)-3-methyl-N-propylbut-2-en-1-amine
CID 107901132
N-(3-bromopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-amine
CID 107901137
N-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine
CID 107901141

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine?
The IUPAC name of N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine (CID 107901105) is N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine is CC(C)=CCN(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine?
The InChIKey is AHXMSPBFFQCEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN/c1-9(2)5-7-12(8-6-11)10-3-4-10/h5,10H,3-4,6-8H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine?
N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine has a molecular weight of 232.16 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine is sourced from PubChem (CID 107901105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).