ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine

C12H22N2 — CID 143018944

IUPACethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine
SMILESCC.CNc1ccc(N(C)C)c(C)c1
InChIInChI=1S/C10H16N2.C2H6/c1-8-7-9(11-2)5-6-10(8)12(3)4;1-2/h5-7,11H,1-4H3;1-2H3
InChIKeyUAZZZJIPLPOTTH-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.13
Rot. Bonds2

About ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine

ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine (PubChem CID 143018944) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine.

Molecular Properties

Compound Nameethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine
PubChem CID143018944
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine
SMILESCC.CNc1ccc(N(C)C)c(C)c1
InChIInChI=1S/C10H16N2.C2H6/c1-8-7-9(11-2)5-6-10(8)12(3)4;1-2/h5-7,11H,1-4H3;1-2H3
InChIKeyUAZZZJIPLPOTTH-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine?
The IUPAC name of ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine (CID 143018944) is ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine.
What is the SMILES notation for ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine?
The canonical SMILES for ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine is CC.CNc1ccc(N(C)C)c(C)c1.
What is the InChIKey of ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine?
The InChIKey is UAZZZJIPLPOTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-8-7-9(11-2)5-6-10(8)12(3)4;1-2/h5-7,11H,1-4H3;1-2H3.
What are the key properties of ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine?
ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine has a molecular weight of 194.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine is sourced from PubChem (CID 143018944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).