N-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine

C8H16BrN — CID 107901121

IUPACN-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine
SMILESCC(C)=CCN(C)CCBr
InChIInChI=1S/C8H16BrN/c1-8(2)4-6-10(3)7-5-9/h4H,5-7H2,1-3H3
InChIKeyGYUPWHSNMHQXQC-UHFFFAOYSA-N
MW206.13 g/mol
LogP2.28
Rot. Bonds4

About N-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine

N-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine (PubChem CID 107901121) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is N-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine
PubChem CID107901121
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC NameN-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine
SMILESCC(C)=CCN(C)CCBr
InChIInChI=1S/C8H16BrN/c1-8(2)4-6-10(3)7-5-9/h4H,5-7H2,1-3H3
InChIKeyGYUPWHSNMHQXQC-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine?
The IUPAC name of N-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine (CID 107901121) is N-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for N-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for N-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine is CC(C)=CCN(C)CCBr.
What is the InChIKey of N-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine?
The InChIKey is GYUPWHSNMHQXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN/c1-8(2)4-6-10(3)7-5-9/h4H,5-7H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine?
N-(2-bromoethyl)-N,3-dimethylbut-2-en-1-amine has a molecular weight of 206.13 g/mol, XLogP of 2.28, 4 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-dimethylbut-2-en-1-amine is sourced from PubChem (CID 107901121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).