ethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium

C7H15N2+ — CID 163720903

IUPACethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium
SMILES[H]/N=C(\C)[N+](C)(C)/C=C\C
InChIInChI=1S/C7H15N2/c1-5-6-9(3,4)7(2)8/h5-6,8H,1-4H3/q+1/b6-5-,8-7+
InChIKeyFKPDZNDJNNQUBO-IGTJQSIKSA-N
MW127.21 g/mol
LogP1.59
Rot. Bonds1

About ethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium

ethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium (PubChem CID 163720903) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is ethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium.

Molecular Properties

Compound Nameethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium
PubChem CID163720903
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Nameethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium
SMILES[H]/N=C(\C)[N+](C)(C)/C=C\C
InChIInChI=1S/C7H15N2/c1-5-6-9(3,4)7(2)8/h5-6,8H,1-4H3/q+1/b6-5-,8-7+
InChIKeyFKPDZNDJNNQUBO-IGTJQSIKSA-N
XLogP1.59
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium?
The IUPAC name of ethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium (CID 163720903) is ethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium.
What is the SMILES notation for ethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium?
The canonical SMILES for ethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium is [H]/N=C(\C)[N+](C)(C)/C=C\C.
What is the InChIKey of ethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium?
The InChIKey is FKPDZNDJNNQUBO-IGTJQSIKSA-N. The full InChI is InChI=1S/C7H15N2/c1-5-6-9(3,4)7(2)8/h5-6,8H,1-4H3/q+1/b6-5-,8-7+.
What are the key properties of ethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium?
ethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium has a molecular weight of 127.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidoyl-dimethyl-[(Z)-prop-1-enyl]azanium is sourced from PubChem (CID 163720903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).