N'-(prop-1-en-2-ylamino)ethanimidamide

C5H11N3 — CID 89191835

IUPACN'-(prop-1-en-2-ylamino)ethanimidamide
SMILESC=C(C)N/N=C(/C)N
InChIInChI=1S/C5H11N3/c1-4(2)7-8-5(3)6/h7H,1H2,2-3H3,(H2,6,8)
InChIKeyCKZYUEWNTYHHFB-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.40
Rot. Bonds2

About N'-(prop-1-en-2-ylamino)ethanimidamide

N'-(prop-1-en-2-ylamino)ethanimidamide (PubChem CID 89191835) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N'-(prop-1-en-2-ylamino)ethanimidamide.

Molecular Properties

Compound NameN'-(prop-1-en-2-ylamino)ethanimidamide
PubChem CID89191835
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN'-(prop-1-en-2-ylamino)ethanimidamide
SMILESC=C(C)N/N=C(/C)N
InChIInChI=1S/C5H11N3/c1-4(2)7-8-5(3)6/h7H,1H2,2-3H3,(H2,6,8)
InChIKeyCKZYUEWNTYHHFB-UHFFFAOYSA-N
XLogP0.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
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'-(prop-1-en-2-ylamino)ethanimidamide?
The IUPAC name of N'-(prop-1-en-2-ylamino)ethanimidamide (CID 89191835) is N'-(prop-1-en-2-ylamino)ethanimidamide.
What is the SMILES notation for N'-(prop-1-en-2-ylamino)ethanimidamide?
The canonical SMILES for N'-(prop-1-en-2-ylamino)ethanimidamide is C=C(C)N/N=C(/C)N.
What is the InChIKey of N'-(prop-1-en-2-ylamino)ethanimidamide?
The InChIKey is CKZYUEWNTYHHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-4(2)7-8-5(3)6/h7H,1H2,2-3H3,(H2,6,8).
What are the key properties of N'-(prop-1-en-2-ylamino)ethanimidamide?
N'-(prop-1-en-2-ylamino)ethanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(prop-1-en-2-ylamino)ethanimidamide is sourced from PubChem (CID 89191835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).