1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine

C15H26N2 — CID 87459767

IUPAC1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine
SMILESCCc1cc(NC(C)CC)c(C)c(N)c1CC
InChIInChI=1S/C15H26N2/c1-6-10(4)17-14-9-12(7-2)13(8-3)15(16)11(14)5/h9-10,17H,6-8,16H2,1-5H3
InChIKeyCWQOZAFLUOOBON-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.91
Rot. Bonds5

About 1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine

1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine (PubChem CID 87459767) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine
PubChem CID87459767
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine
SMILESCCc1cc(NC(C)CC)c(C)c(N)c1CC
InChIInChI=1S/C15H26N2/c1-6-10(4)17-14-9-12(7-2)13(8-3)15(16)11(14)5/h9-10,17H,6-8,16H2,1-5H3
InChIKeyCWQOZAFLUOOBON-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
2,4-Diethyl-5-methyl-1,3-benzenediamine
CID 22419268
Amiflamine
CID 71221
N-Ethyl-2,3-dimethylaniline
CID 584336
1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine
CID 2803910
2,2,4,6,7-Pentamethyl-1,2-dihydroquinoline
CID 647805
4-(Dimethylamino)-alpha,2-dimethylphenethylamine
CID 3043606
1,3-Benzenediamine, N1,4-bis(1,1-dimethylethyl)-6-methyl-
CID 86271
1,3-Benzenediamine, N1,6-bis(1,1-dimethylethyl)-4-methyl-
CID 86272
1,3-Benzenediamine, N1,4-bis(1,1-dimethylethyl)-2-methyl-
CID 86274
1-Methyl-2-(4-methyl-2,3-dihydro-1H-indol-5-yl)-ethylamine
CID 13660283
2-(1-Ethyl-6-methyl-2,3-dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660303

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine?
The IUPAC name of 1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine (CID 87459767) is 1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine is CCc1cc(NC(C)CC)c(C)c(N)c1CC.
What is the InChIKey of 1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine?
The InChIKey is CWQOZAFLUOOBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-10(4)17-14-9-12(7-2)13(8-3)15(16)11(14)5/h9-10,17H,6-8,16H2,1-5H3.
What are the key properties of 1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine?
1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 87459767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).