ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine

C11H23N3 — CID 177178371

IUPACethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine
SMILESCC.CC/N=C1\CN(CC)C\C1=C\N
InChIInChI=1S/C9H17N3.C2H6/c1-3-11-9-7-12(4-2)6-8(9)5-10;1-2/h5H,3-4,6-7,10H2,1-2H3;1-2H3/b8-5-,11-9+;
InChIKeyQAHRJSYXNCDOJB-UVRKQXKUSA-N
MW197.33 g/mol
LogP1.65
Rot. Bonds2

About ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine

ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine (PubChem CID 177178371) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine.

Molecular Properties

Compound Nameethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine
PubChem CID177178371
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Nameethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine
SMILESCC.CC/N=C1\CN(CC)C\C1=C\N
InChIInChI=1S/C9H17N3.C2H6/c1-3-11-9-7-12(4-2)6-8(9)5-10;1-2/h5H,3-4,6-7,10H2,1-2H3;1-2H3/b8-5-,11-9+;
InChIKeyQAHRJSYXNCDOJB-UVRKQXKUSA-N
XLogP1.65
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine?
The IUPAC name of ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine (CID 177178371) is ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine.
What is the SMILES notation for ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine?
The canonical SMILES for ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine is CC.CC/N=C1\CN(CC)C\C1=C\N.
What is the InChIKey of ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine?
The InChIKey is QAHRJSYXNCDOJB-UVRKQXKUSA-N. The full InChI is InChI=1S/C9H17N3.C2H6/c1-3-11-9-7-12(4-2)6-8(9)5-10;1-2/h5H,3-4,6-7,10H2,1-2H3;1-2H3/b8-5-,11-9+;.
What are the key properties of ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine?
ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine has a molecular weight of 197.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine is sourced from PubChem (CID 177178371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).