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

C14H23BrN2 — CID 62411375

IUPAC4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine
SMILESCNCCCC(C)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-12(5-4-10-16-2)17(3)11-13-6-8-14(15)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyLYZQMRFZLYMLQR-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.27
Rot. Bonds7

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

4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine (PubChem CID 62411375) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine
PubChem CID62411375
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine
SMILESCNCCCC(C)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-12(5-4-10-16-2)17(3)11-13-6-8-14(15)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyLYZQMRFZLYMLQR-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(4-bromophenyl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62413127
4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide
CID 63579697
N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62411652
1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62462960
1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
CID 62421162
4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 62420064
4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 62418482
2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine
CID 61415296
1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421195
N-benzyl-N-methylheptan-2-amine
CID 101048002
4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62463683

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine?
The IUPAC name of 4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine (CID 62411375) is 4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine is CNCCCC(C)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine?
The InChIKey is LYZQMRFZLYMLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-12(5-4-10-16-2)17(3)11-13-6-8-14(15)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of 4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine?
4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine is sourced from PubChem (CID 62411375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).