ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline

C14H24N2 — CID 176694219

IUPACethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline
SMILESCC.[H]/N=C/c1cc(C)c(C(C)C)cc1NC
InChIInChI=1S/C12H18N2.C2H6/c1-8(2)11-6-12(14-4)10(7-13)5-9(11)3;1-2/h5-8,13-14H,1-4H3;1-2H3/b13-7+;
InChIKeyONLZLEZZLVEPBA-FTPOTTDRSA-N
MW220.36 g/mol
LogP4.18
Rot. Bonds3

About ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline

ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline (PubChem CID 176694219) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline.

Molecular Properties

Compound Nameethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline
PubChem CID176694219
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline
SMILESCC.[H]/N=C/c1cc(C)c(C(C)C)cc1NC
InChIInChI=1S/C12H18N2.C2H6/c1-8(2)11-6-12(14-4)10(7-13)5-9(11)3;1-2/h5-8,13-14H,1-4H3;1-2H3/b13-7+;
InChIKeyONLZLEZZLVEPBA-FTPOTTDRSA-N
XLogP4.18
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline?
The IUPAC name of ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline (CID 176694219) is ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline.
What is the SMILES notation for ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline?
The canonical SMILES for ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline is CC.[H]/N=C/c1cc(C)c(C(C)C)cc1NC.
What is the InChIKey of ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline?
The InChIKey is ONLZLEZZLVEPBA-FTPOTTDRSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-8(2)11-6-12(14-4)10(7-13)5-9(11)3;1-2/h5-8,13-14H,1-4H3;1-2H3/b13-7+;.
What are the key properties of ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline?
ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline has a molecular weight of 220.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline is sourced from PubChem (CID 176694219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).