N-ethylidenepropanimidamide

C5H10N2 — CID 147508349

IUPACN-ethylidenepropanimidamide
SMILES[H]/N=C(CC)/N=C/C
InChIInChI=1S/C5H10N2/c1-3-5(6)7-4-2/h4,6H,3H2,1-2H3/b6-5+,7-4+
InChIKeyLQQDNFSBAOBQQG-HVUXDCMCSA-N
MW98.15 g/mol
LogP1.46
Rot. Bonds1

About N-ethylidenepropanimidamide

N-ethylidenepropanimidamide (PubChem CID 147508349) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N-ethylidenepropanimidamide.

Molecular Properties

Compound NameN-ethylidenepropanimidamide
PubChem CID147508349
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN-ethylidenepropanimidamide
SMILES[H]/N=C(CC)/N=C/C
InChIInChI=1S/C5H10N2/c1-3-5(6)7-4-2/h4,6H,3H2,1-2H3/b6-5+,7-4+
InChIKeyLQQDNFSBAOBQQG-HVUXDCMCSA-N
XLogP1.46
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.46
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylidenepropanimidamide?
The IUPAC name of N-ethylidenepropanimidamide (CID 147508349) is N-ethylidenepropanimidamide.
What is the SMILES notation for N-ethylidenepropanimidamide?
The canonical SMILES for N-ethylidenepropanimidamide is [H]/N=C(CC)/N=C/C.
What is the InChIKey of N-ethylidenepropanimidamide?
The InChIKey is LQQDNFSBAOBQQG-HVUXDCMCSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-5(6)7-4-2/h4,6H,3H2,1-2H3/b6-5+,7-4+.
What are the key properties of N-ethylidenepropanimidamide?
N-ethylidenepropanimidamide has a molecular weight of 98.15 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidenepropanimidamide is sourced from PubChem (CID 147508349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).