1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine

C14H24N2 — CID 115929102

IUPAC1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine
SMILESCCC(CC)Nc1ccc(N(C)C)c(C)c1
InChIInChI=1S/C14H24N2/c1-6-12(7-2)15-13-8-9-14(16(4)5)11(3)10-13/h8-10,12,15H,6-7H2,1-5H3
InChIKeyNJQZPZGFEZDPNN-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.66
Rot. Bonds5

About 1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine

1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine (PubChem CID 115929102) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine
PubChem CID115929102
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine
SMILESCCC(CC)Nc1ccc(N(C)C)c(C)c1
InChIInChI=1S/C14H24N2/c1-6-12(7-2)15-13-8-9-14(16(4)5)11(3)10-13/h8-10,12,15H,6-7H2,1-5H3
InChIKeyNJQZPZGFEZDPNN-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-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 1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine?
The IUPAC name of 1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine (CID 115929102) is 1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine is CCC(CC)Nc1ccc(N(C)C)c(C)c1.
What is the InChIKey of 1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine?
The InChIKey is NJQZPZGFEZDPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-12(7-2)15-13-8-9-14(16(4)5)11(3)10-13/h8-10,12,15H,6-7H2,1-5H3.
What are the key properties of 1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine?
1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine is sourced from PubChem (CID 115929102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).