1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine

C13H21BrN2 — CID 116950243

IUPAC1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
SMILESCNC(CCC(C)(C)N)c1cccc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-13(2,15)8-7-12(16-3)10-5-4-6-11(14)9-10/h4-6,9,12,16H,7-8,15H2,1-3H3
InChIKeyDJBKEQNYMOMENG-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.23
Rot. Bonds5

About 1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine

1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine (PubChem CID 116950243) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
PubChem CID116950243
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
SMILESCNC(CCC(C)(C)N)c1cccc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-13(2,15)8-7-12(16-3)10-5-4-6-11(14)9-10/h4-6,9,12,16H,7-8,15H2,1-3H3
InChIKeyDJBKEQNYMOMENG-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-4-methylpentane-1,4-diamine
CID 116934811
1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine
CID 63412783
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950190
1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 114023299
1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 62612497
1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62618958
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
CID 62618045
1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 63493560
1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 62618729
1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103539152

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine?
The IUPAC name of 1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine (CID 116950243) is 1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine?
The canonical SMILES for 1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine is CNC(CCC(C)(C)N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine?
The InChIKey is DJBKEQNYMOMENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-13(2,15)8-7-12(16-3)10-5-4-6-11(14)9-10/h4-6,9,12,16H,7-8,15H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine?
1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine has a molecular weight of 285.23 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine is sourced from PubChem (CID 116950243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).