N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine

C16H28N2 — CID 115202182

IUPACN'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)CCc1cc(C)ccc1C
InChIInChI=1S/C16H28N2/c1-14-7-8-15(2)16(13-14)9-12-18(4)11-6-5-10-17-3/h7-8,13,17H,5-6,9-12H2,1-4H3
InChIKeyAKYCJUXLQBDZTB-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.78
Rot. Bonds8

About N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine

N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine (PubChem CID 115202182) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
PubChem CID115202182
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)CCc1cc(C)ccc1C
InChIInChI=1S/C16H28N2/c1-14-7-8-15(2)16(13-14)9-12-18(4)11-6-5-10-17-3/h7-8,13,17H,5-6,9-12H2,1-4H3
InChIKeyAKYCJUXLQBDZTB-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.78
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

N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202005
[2-(2,5-dimethylphenyl)ethyl-methylamino]methanethiol
CID 115228360
N-(bromomethyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 115262334
2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258971
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
2-N-[2-(2,5-dimethylphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132993
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202214
N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine
CID 115202194
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
1-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243120
N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 115155771
N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine
CID 115227354

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine (CID 115202182) is N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine is CNCCCCN(C)CCc1cc(C)ccc1C.
What is the InChIKey of N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is AKYCJUXLQBDZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-14-7-8-15(2)16(13-14)9-12-18(4)11-6-5-10-17-3/h7-8,13,17H,5-6,9-12H2,1-4H3.
What are the key properties of N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine?
N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115202182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).