N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine

C13H21BrN2 — CID 115204773

IUPACN'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(CCC(C)(C)CN)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2/c1-13(2,10-15)8-9-16(3)12-6-4-11(14)5-7-12/h4-7H,8-10,15H2,1-3H3
InChIKeyGYBWCNSWCFGQJA-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.26
Rot. Bonds5

About N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine

N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine (PubChem CID 115204773) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine
PubChem CID115204773
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC NameN'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(CCC(C)(C)CN)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2/c1-13(2,10-15)8-9-16(3)12-6-4-11(14)5-7-12/h4-7H,8-10,15H2,1-3H3
InChIKeyGYBWCNSWCFGQJA-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 65247212
N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204769
N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 115204805
2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131728
N'-[(5-bromo-2-fluorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 115204975
1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 115199107
3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
CID 56687188
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115205674
4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide
CID 115156946
4-(4-bromo-N-methylanilino)-3,3-dimethylbutanoic acid
CID 115220259
N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201768

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine (CID 115204773) is N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine is CN(CCC(C)(C)CN)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine?
The InChIKey is GYBWCNSWCFGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-13(2,10-15)8-9-16(3)12-6-4-11(14)5-7-12/h4-7H,8-10,15H2,1-3H3.
What are the key properties of N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine?
N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine has a molecular weight of 285.23 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 115204773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).