N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine

C15H26N2 — CID 116949515

IUPACN,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
SMILESCNCCCC(NC)c1ccc(C)c(C)c1C
InChIInChI=1S/C15H26N2/c1-11-8-9-14(13(3)12(11)2)15(17-5)7-6-10-16-4/h8-9,15-17H,6-7,10H2,1-5H3
InChIKeyUVZNIFQHKBJPAW-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.87
Rot. Bonds6

About N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine

N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine (PubChem CID 116949515) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
PubChem CID116949515
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
SMILESCNCCCC(NC)c1ccc(C)c(C)c1C
InChIInChI=1S/C15H26N2/c1-11-8-9-14(13(3)12(11)2)15(17-5)7-6-10-16-4/h8-9,15-17H,6-7,10H2,1-5H3
InChIKeyUVZNIFQHKBJPAW-UHFFFAOYSA-N
XLogP2.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949463
N'-ethyl-N-methyl-1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116950402
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116949510
N'-cyclopropyl-N-methyl-1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116950683
2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid
CID 116953757
1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine
CID 116949513
N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine
CID 116949455
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116951835
N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116954929
N,N'-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116949458

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine (CID 116949515) is N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine is CNCCCC(NC)c1ccc(C)c(C)c1C.
What is the InChIKey of N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
The InChIKey is UVZNIFQHKBJPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-8-9-14(13(3)12(11)2)15(17-5)7-6-10-16-4/h8-9,15-17H,6-7,10H2,1-5H3.
What are the key properties of N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine is sourced from PubChem (CID 116949515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).