N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine

C14H24N2 — CID 54806038

IUPACN'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine
SMILESCCC(C)NCCNc1ccc(C)c(C)c1
InChIInChI=1S/C14H24N2/c1-5-13(4)15-8-9-16-14-7-6-11(2)12(3)10-14/h6-7,10,13,15-16H,5,8-9H2,1-4H3
InChIKeyDNPREMUZBDFTOS-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.10
Rot. Bonds6

About N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine

N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine (PubChem CID 54806038) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine
PubChem CID54806038
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine
SMILESCCC(C)NCCNc1ccc(C)c(C)c1
InChIInChI=1S/C14H24N2/c1-5-13(4)15-8-9-16-14-7-6-11(2)12(3)10-14/h6-7,10,13,15-16H,5,8-9H2,1-4H3
InChIKeyDNPREMUZBDFTOS-UHFFFAOYSA-N
XLogP3.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine (CID 54806038) is N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine is CCC(C)NCCNc1ccc(C)c(C)c1.
What is the InChIKey of N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is DNPREMUZBDFTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-13(4)15-8-9-16-14-7-6-11(2)12(3)10-14/h6-7,10,13,15-16H,5,8-9H2,1-4H3.
What are the key properties of N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine?
N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).