N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine

C11H18N2 — CID 19855595

IUPACN'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
SMILESCc1cccc(C)c1N(C)CCN
InChIInChI=1S/C11H18N2/c1-9-5-4-6-10(2)11(9)13(3)8-7-12/h4-6H,7-8,12H2,1-3H3
InChIKeyUYWDGHIIFLRIDH-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.70
Rot. Bonds3

About N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine

N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 19855595) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
PubChem CID19855595
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
SMILESCc1cccc(C)c1N(C)CCN
InChIInChI=1S/C11H18N2/c1-9-5-4-6-10(2)11(9)13(3)8-7-12/h4-6H,7-8,12H2,1-3H3
InChIKeyUYWDGHIIFLRIDH-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine (CID 19855595) is N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine is Cc1cccc(C)c1N(C)CCN.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is UYWDGHIIFLRIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-5-4-6-10(2)11(9)13(3)8-7-12/h4-6H,7-8,12H2,1-3H3.
What are the key properties of N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine?
N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 19855595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).