N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine

C14H23BrN2 — CID 82017241

IUPACN'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine
SMILESCC(CN)CCCN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-12(10-16)4-3-9-17(2)11-13-5-7-14(15)8-6-13/h5-8,12H,3-4,9-11,16H2,1-2H3
InChIKeyMTWFLESFZYFWGD-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.26
Rot. Bonds7

About N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine

N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine (PubChem CID 82017241) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine
PubChem CID82017241
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC NameN'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine
SMILESCC(CN)CCCN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-12(10-16)4-3-9-17(2)11-13-5-7-14(15)8-6-13/h5-8,12H,3-4,9-11,16H2,1-2H3
InChIKeyMTWFLESFZYFWGD-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(4-bromophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119805
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
5-[(4-bromophenyl)methyl-methylamino]-3-methylpentan-2-one
CID 166534850
4-[(4-bromophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 61415732
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
N'-[(4-bromophenyl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62412779
1-N-[(4-ethylsulfanylphenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203954
N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine
CID 82017008
2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine
CID 61415296
methyl 4-[(4-bromophenyl)methyl-methylamino]butanoate
CID 61415832
1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 61415507

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine?
The IUPAC name of N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine (CID 82017241) is N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine.
What is the SMILES notation for N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine?
The canonical SMILES for N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine is CC(CN)CCCN(C)Cc1ccc(Br)cc1.
What is the InChIKey of N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine?
The InChIKey is MTWFLESFZYFWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-12(10-16)4-3-9-17(2)11-13-5-7-14(15)8-6-13/h5-8,12H,3-4,9-11,16H2,1-2H3.
What are the key properties of N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine?
N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine is sourced from PubChem (CID 82017241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).