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

C9H17N3 — CID 177178372

IUPAC(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine
SMILESCC/N=C1\CN(CC)C\C1=C\N
InChIInChI=1S/C9H17N3/c1-3-11-9-7-12(4-2)6-8(9)5-10/h5H,3-4,6-7,10H2,1-2H3/b8-5-,11-9+
InChIKeyOALSZKLLVXTEAF-TWGJSUAUSA-N
MW167.26 g/mol
LogP0.63
Rot. Bonds2

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

(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine (PubChem CID 177178372) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine.

Molecular Properties

Compound Name(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine
PubChem CID177178372
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine
SMILESCC/N=C1\CN(CC)C\C1=C\N
InChIInChI=1S/C9H17N3/c1-3-11-9-7-12(4-2)6-8(9)5-10/h5H,3-4,6-7,10H2,1-2H3/b8-5-,11-9+
InChIKeyOALSZKLLVXTEAF-TWGJSUAUSA-N
XLogP0.63
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.63
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 (Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine?
The IUPAC name of (Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine (CID 177178372) is (Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine.
What is the SMILES notation for (Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine?
The canonical SMILES for (Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine is CC/N=C1\CN(CC)C\C1=C\N.
What is the InChIKey of (Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine?
The InChIKey is OALSZKLLVXTEAF-TWGJSUAUSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-11-9-7-12(4-2)6-8(9)5-10/h5H,3-4,6-7,10H2,1-2H3/b8-5-,11-9+.
What are the key properties of (Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine?
(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine has a molecular weight of 167.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine is sourced from PubChem (CID 177178372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).