N-ethylethanamine;methanamine;toluene

C12H24N2 — CID 174650060

IUPACN-ethylethanamine;methanamine;toluene
SMILESCCNCC.CN.Cc1ccccc1
InChIInChI=1S/C7H8.C4H11N.CH5N/c1-7-5-3-2-4-6-7;1-3-5-4-2;1-2/h2-6H,1H3;5H,3-4H2,1-2H3;2H2,1H3
InChIKeyHGSSBEOSTYVXMZ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.19
Rot. Bonds2

About N-ethylethanamine;methanamine;toluene

N-ethylethanamine;methanamine;toluene (PubChem CID 174650060) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-ethylethanamine;methanamine;toluene.

Molecular Properties

Compound NameN-ethylethanamine;methanamine;toluene
PubChem CID174650060
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-ethylethanamine;methanamine;toluene
SMILESCCNCC.CN.Cc1ccccc1
InChIInChI=1S/C7H8.C4H11N.CH5N/c1-7-5-3-2-4-6-7;1-3-5-4-2;1-2/h2-6H,1H3;5H,3-4H2,1-2H3;2H2,1H3
InChIKeyHGSSBEOSTYVXMZ-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;methanamine;toluene?
The IUPAC name of N-ethylethanamine;methanamine;toluene (CID 174650060) is N-ethylethanamine;methanamine;toluene.
What is the SMILES notation for N-ethylethanamine;methanamine;toluene?
The canonical SMILES for N-ethylethanamine;methanamine;toluene is CCNCC.CN.Cc1ccccc1.
What is the InChIKey of N-ethylethanamine;methanamine;toluene?
The InChIKey is HGSSBEOSTYVXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H11N.CH5N/c1-7-5-3-2-4-6-7;1-3-5-4-2;1-2/h2-6H,1H3;5H,3-4H2,1-2H3;2H2,1H3.
What are the key properties of N-ethylethanamine;methanamine;toluene?
N-ethylethanamine;methanamine;toluene has a molecular weight of 196.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;methanamine;toluene is sourced from PubChem (CID 174650060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).