ethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium

C10H19N2+ — CID 172631196

IUPACethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium
SMILESC/C=[N+](/C=C\C=N\CC)C(C)C
InChIInChI=1S/C10H19N2/c1-5-11-8-7-9-12(6-2)10(3)4/h6-10H,5H2,1-4H3/q+1/b9-7-,11-8+,12-6-
InChIKeyGROIMKRQVIJCCE-VXXBAQHUSA-N
MW167.28 g/mol
LogP2.10
Rot. Bonds4

About ethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium

ethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium (PubChem CID 172631196) has the molecular formula C10H19N2+ and a molecular weight of 167.28 g/mol. Its IUPAC name is ethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium.

Molecular Properties

Compound Nameethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium
PubChem CID172631196
Molecular FormulaC10H19N2+
Molecular Weight167.28 g/mol
Exact Mass167.15
IUPAC Nameethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium
SMILESC/C=[N+](/C=C\C=N\CC)C(C)C
InChIInChI=1S/C10H19N2/c1-5-11-8-7-9-12(6-2)10(3)4/h6-10H,5H2,1-4H3/q+1/b9-7-,11-8+,12-6-
InChIKeyGROIMKRQVIJCCE-VXXBAQHUSA-N
XLogP2.10
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium?
The IUPAC name of ethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium (CID 172631196) is ethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium.
What is the SMILES notation for ethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium?
The canonical SMILES for ethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium is C/C=[N+](/C=C\C=N\CC)C(C)C.
What is the InChIKey of ethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium?
The InChIKey is GROIMKRQVIJCCE-VXXBAQHUSA-N. The full InChI is InChI=1S/C10H19N2/c1-5-11-8-7-9-12(6-2)10(3)4/h6-10H,5H2,1-4H3/q+1/b9-7-,11-8+,12-6-.
What are the key properties of ethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium?
ethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium has a molecular weight of 167.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-[(Z)-3-ethyliminoprop-1-enyl]-propan-2-ylazanium is sourced from PubChem (CID 172631196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).