1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine

C12H20N2 — CID 21122485

IUPAC1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine
SMILESCc1cc(C)c(N(C)C)c(N(C)C)c1
InChIInChI=1S/C12H20N2/c1-9-7-10(2)12(14(5)6)11(8-9)13(3)4/h7-8H,1-6H3
InChIKeyPYKVYGPLNKGUBA-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.44
Rot. Bonds2

About 1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine

1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine (PubChem CID 21122485) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine
PubChem CID21122485
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine
SMILESCc1cc(C)c(N(C)C)c(N(C)C)c1
InChIInChI=1S/C12H20N2/c1-9-7-10(2)12(14(5)6)11(8-9)13(3)4/h7-8H,1-6H3
InChIKeyPYKVYGPLNKGUBA-UHFFFAOYSA-N
XLogP2.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,3-dimethyl-1,3-bis(2,4,6-trimethylphenyl)guanidine
CID 177044470
N,N-dimethylmethanamine;1,3,5-trimethylbenzene
CID 160733965
2-methoxy-N,N,4,5-tetramethylaniline
CID 117043608
2-fluoro-N,N,5-trimethylaniline
CID 118521335
CID 174602937
CID 174602937
N,N,2,5-tetramethylpyridin-3-amine
CID 58078210
5-[chloro-bis[2,4,5-tris(dimethylamino)-3-methylphenyl]silyl]-1-N,1-N,2-N,2-N,4-N,4-N,3-heptamethylbenzene-1,2,4-triamine
CID 88963789
(2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid
CID 115170741
3,4-bis(dimethylamino)-2-methylphenol
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2-ethyl-N,N,5-trimethylaniline
CID 59382459

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine (CID 21122485) is 1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine is Cc1cc(C)c(N(C)C)c(N(C)C)c1.
What is the InChIKey of 1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine?
The InChIKey is PYKVYGPLNKGUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-7-10(2)12(14(5)6)11(8-9)13(3)4/h7-8H,1-6H3.
What are the key properties of 1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine?
1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N,3,5-hexamethylbenzene-1,2-diamine is sourced from PubChem (CID 21122485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).