ethane;2-methanimidoyl-3,4,5-trimethylaniline

C12H20N2 — CID 169182413

IUPACethane;2-methanimidoyl-3,4,5-trimethylaniline
SMILESCC.[H]/N=C/c1c(N)cc(C)c(C)c1C
InChIInChI=1S/C10H14N2.C2H6/c1-6-4-10(12)9(5-11)8(3)7(6)2;1-2/h4-5,11H,12H2,1-3H3;1-2H3/b11-5+;
InChIKeyAMQRMYQEAZMPOA-HMXKFKBXSA-N
MW192.31 g/mol
LogP3.22
Rot. Bonds1

About ethane;2-methanimidoyl-3,4,5-trimethylaniline

ethane;2-methanimidoyl-3,4,5-trimethylaniline (PubChem CID 169182413) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;2-methanimidoyl-3,4,5-trimethylaniline.

Molecular Properties

Compound Nameethane;2-methanimidoyl-3,4,5-trimethylaniline
PubChem CID169182413
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;2-methanimidoyl-3,4,5-trimethylaniline
SMILESCC.[H]/N=C/c1c(N)cc(C)c(C)c1C
InChIInChI=1S/C10H14N2.C2H6/c1-6-4-10(12)9(5-11)8(3)7(6)2;1-2/h4-5,11H,12H2,1-3H3;1-2H3/b11-5+;
InChIKeyAMQRMYQEAZMPOA-HMXKFKBXSA-N
XLogP3.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methanimidoyl-3,4,5-trimethylaniline?
The IUPAC name of ethane;2-methanimidoyl-3,4,5-trimethylaniline (CID 169182413) is ethane;2-methanimidoyl-3,4,5-trimethylaniline.
What is the SMILES notation for ethane;2-methanimidoyl-3,4,5-trimethylaniline?
The canonical SMILES for ethane;2-methanimidoyl-3,4,5-trimethylaniline is CC.[H]/N=C/c1c(N)cc(C)c(C)c1C.
What is the InChIKey of ethane;2-methanimidoyl-3,4,5-trimethylaniline?
The InChIKey is AMQRMYQEAZMPOA-HMXKFKBXSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-6-4-10(12)9(5-11)8(3)7(6)2;1-2/h4-5,11H,12H2,1-3H3;1-2H3/b11-5+;.
What are the key properties of ethane;2-methanimidoyl-3,4,5-trimethylaniline?
ethane;2-methanimidoyl-3,4,5-trimethylaniline has a molecular weight of 192.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methanimidoyl-3,4,5-trimethylaniline is sourced from PubChem (CID 169182413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).