ethanimidoyl(2-pyrrolidin-1-ylethyl)azanide

C8H16N3- — CID 142175056

IUPACethanimidoyl(2-pyrrolidin-1-ylethyl)azanide
SMILES[H]/N=C(\C)[N-]CCN1CCCC1
InChIInChI=1S/C8H16N3/c1-8(9)10-4-7-11-5-2-3-6-11/h2-7H2,1H3,(H-,9,10)/q-1
InChIKeyUVLJORMGYSMAGP-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.45
Rot. Bonds3

About ethanimidoyl(2-pyrrolidin-1-ylethyl)azanide

ethanimidoyl(2-pyrrolidin-1-ylethyl)azanide (PubChem CID 142175056) has the molecular formula C8H16N3- and a molecular weight of 154.24 g/mol. Its IUPAC name is ethanimidoyl(2-pyrrolidin-1-ylethyl)azanide.

Molecular Properties

Compound Nameethanimidoyl(2-pyrrolidin-1-ylethyl)azanide
PubChem CID142175056
Molecular FormulaC8H16N3-
Molecular Weight154.24 g/mol
Exact Mass154.13
IUPAC Nameethanimidoyl(2-pyrrolidin-1-ylethyl)azanide
SMILES[H]/N=C(\C)[N-]CCN1CCCC1
InChIInChI=1S/C8H16N3/c1-8(9)10-4-7-11-5-2-3-6-11/h2-7H2,1H3,(H-,9,10)/q-1
InChIKeyUVLJORMGYSMAGP-UHFFFAOYSA-N
XLogP1.45
TPSA41.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanimidoyl(2-pyrrolidin-1-ylethyl)azanide?
The IUPAC name of ethanimidoyl(2-pyrrolidin-1-ylethyl)azanide (CID 142175056) is ethanimidoyl(2-pyrrolidin-1-ylethyl)azanide.
What is the SMILES notation for ethanimidoyl(2-pyrrolidin-1-ylethyl)azanide?
The canonical SMILES for ethanimidoyl(2-pyrrolidin-1-ylethyl)azanide is [H]/N=C(\C)[N-]CCN1CCCC1.
What is the InChIKey of ethanimidoyl(2-pyrrolidin-1-ylethyl)azanide?
The InChIKey is UVLJORMGYSMAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3/c1-8(9)10-4-7-11-5-2-3-6-11/h2-7H2,1H3,(H-,9,10)/q-1.
What are the key properties of ethanimidoyl(2-pyrrolidin-1-ylethyl)azanide?
ethanimidoyl(2-pyrrolidin-1-ylethyl)azanide has a molecular weight of 154.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidoyl(2-pyrrolidin-1-ylethyl)azanide is sourced from PubChem (CID 142175056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).