1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine

C12H20N2 — CID 131048042

IUPAC1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1N(C)C(C)(C)C
InChIInChI=1S/C12H20N2/c1-9-8-10(13)6-7-11(9)14(5)12(2,3)4/h6-8H,13H2,1-5H3
InChIKeyUXVSTCGAMOCHGC-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.81
Rot. Bonds1

About 1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine

1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine (PubChem CID 131048042) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine
PubChem CID131048042
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1N(C)C(C)(C)C
InChIInChI=1S/C12H20N2/c1-9-8-10(13)6-7-11(9)14(5)12(2,3)4/h6-8H,13H2,1-5H3
InChIKeyUXVSTCGAMOCHGC-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-tert-butyl-1-N,2-dimethylbenzene-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

Related Compounds

1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
2-(4-amino-N,2-dimethylanilino)acetic acid
CID 62253488
1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 115124740
1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
CID 43165465
2-(4-amino-N,2-dimethylanilino)propan-1-ol
CID 104551064
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002580
1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 143231835
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine
CID 62979678
1-N-(3-methoxypropyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62985550
N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide
CID 142240260
4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine
CID 130991719

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine (CID 131048042) is 1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine is Cc1cc(N)ccc1N(C)C(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine?
The InChIKey is UXVSTCGAMOCHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-8-10(13)6-7-11(9)14(5)12(2,3)4/h6-8H,13H2,1-5H3.
What are the key properties of 1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine?
1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 131048042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).