N'-(propan-2-ylideneamino)ethanimidamide

C5H11N3 — CID 85440843

IUPACN'-(propan-2-ylideneamino)ethanimidamide
SMILESCC(C)=NN=C(C)N
InChIInChI=1S/C5H11N3/c1-4(2)7-8-5(3)6/h1-3H3,(H2,6,8)
InChIKeyWSSDAVLYXVKGGV-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.76
Rot. Bonds1

About N'-(propan-2-ylideneamino)ethanimidamide

N'-(propan-2-ylideneamino)ethanimidamide (PubChem CID 85440843) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N'-(propan-2-ylideneamino)ethanimidamide.

Molecular Properties

Compound NameN'-(propan-2-ylideneamino)ethanimidamide
PubChem CID85440843
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN'-(propan-2-ylideneamino)ethanimidamide
SMILESCC(C)=NN=C(C)N
InChIInChI=1S/C5H11N3/c1-4(2)7-8-5(3)6/h1-3H3,(H2,6,8)
InChIKeyWSSDAVLYXVKGGV-UHFFFAOYSA-N
XLogP0.76
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.76
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(propan-2-ylideneamino)ethanimidamide?
The IUPAC name of N'-(propan-2-ylideneamino)ethanimidamide (CID 85440843) is N'-(propan-2-ylideneamino)ethanimidamide.
What is the SMILES notation for N'-(propan-2-ylideneamino)ethanimidamide?
The canonical SMILES for N'-(propan-2-ylideneamino)ethanimidamide is CC(C)=NN=C(C)N.
What is the InChIKey of N'-(propan-2-ylideneamino)ethanimidamide?
The InChIKey is WSSDAVLYXVKGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-4(2)7-8-5(3)6/h1-3H3,(H2,6,8).
What are the key properties of N'-(propan-2-ylideneamino)ethanimidamide?
N'-(propan-2-ylideneamino)ethanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(propan-2-ylideneamino)ethanimidamide is sourced from PubChem (CID 85440843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).