N-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine

C12H24BrN — CID 107901141

IUPACN-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine
SMILESCCC(CC)N(CC=C(C)C)CCBr
InChIInChI=1S/C12H24BrN/c1-5-12(6-2)14(10-8-13)9-7-11(3)4/h7,12H,5-6,8-10H2,1-4H3
InChIKeyWYNWUBIHQDEIMD-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.84
Rot. Bonds7

About N-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine

N-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine (PubChem CID 107901141) has the molecular formula C12H24BrN and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine
PubChem CID107901141
Molecular FormulaC12H24BrN
Molecular Weight262.23 g/mol
Exact Mass261.11
IUPAC NameN-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine
SMILESCCC(CC)N(CC=C(C)C)CCBr
InChIInChI=1S/C12H24BrN/c1-5-12(6-2)14(10-8-13)9-7-11(3)4/h7,12H,5-6,8-10H2,1-4H3
InChIKeyWYNWUBIHQDEIMD-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.84
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-methylbut-2-enyl)pentan-3-amine?
The IUPAC name of N-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine (CID 107901141) is N-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine is CCC(CC)N(CC=C(C)C)CCBr.
What is the InChIKey of N-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine?
The InChIKey is WYNWUBIHQDEIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN/c1-5-12(6-2)14(10-8-13)9-7-11(3)4/h7,12H,5-6,8-10H2,1-4H3.
What are the key properties of N-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine?
N-(2-bromoethyl)-N-(3-methylbut-2-enyl)pentan-3-amine has a molecular weight of 262.23 g/mol, XLogP of 3.84, 7 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)pentan-3-amine is sourced from PubChem (CID 107901141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).