1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine

C13H18BrN — CID 114474094

IUPAC1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine
SMILESC=C(C)CCC(NC)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN/c1-10(2)4-9-13(15-3)11-5-7-12(14)8-6-11/h5-8,13,15H,1,4,9H2,2-3H3
InChIKeyRANPRWVMWOCNPF-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.07
Rot. Bonds5

About 1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine

1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine (PubChem CID 114474094) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine
PubChem CID114474094
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine
SMILESC=C(C)CCC(NC)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN/c1-10(2)4-9-13(15-3)11-5-7-12(14)8-6-11/h5-8,13,15H,1,4,9H2,2-3H3
InChIKeyRANPRWVMWOCNPF-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-4-chlorophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114475733
3-(4-bromophenyl)-3-(methylamino)propan-1-ol
CID 64814914
1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine
CID 105182683
1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 64565771
1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine
CID 114474798
1-(4-bromophenyl)-4-methoxy-N-methylbutan-1-amine
CID 115601640
[4-methyl-1-(4-methylphenyl)pent-4-enyl]hydrazine
CID 105194324
1-[3-(4-bromophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674093
[1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine
CID 105335995
1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine
CID 105039557
4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline
CID 105263475
N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine
CID 114474538

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine (CID 114474094) is 1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine is C=C(C)CCC(NC)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine?
The InChIKey is RANPRWVMWOCNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-10(2)4-9-13(15-3)11-5-7-12(14)8-6-11/h5-8,13,15H,1,4,9H2,2-3H3.
What are the key properties of 1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine?
1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine has a molecular weight of 268.20 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine is sourced from PubChem (CID 114474094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).