2-iminopropanimidamide

C3H7N3 — CID 174066114

IUPAC2-iminopropanimidamide
SMILES[H]/N=C(N)/C(C)=N/[H]
InChIInChI=1S/C3H7N3/c1-2(4)3(5)6/h4H,1H3,(H3,5,6)/b4-2+
InChIKeyDSIOWFYABIBCFT-DUXPYHPUSA-N
MW85.11 g/mol
LogP-0.04
Rot. Bonds1

About 2-iminopropanimidamide

2-iminopropanimidamide (PubChem CID 174066114) has the molecular formula C3H7N3 and a molecular weight of 85.11 g/mol. Its IUPAC name is 2-iminopropanimidamide.

Molecular Properties

Compound Name2-iminopropanimidamide
PubChem CID174066114
Molecular FormulaC3H7N3
Molecular Weight85.11 g/mol
Exact Mass85.06
IUPAC Name2-iminopropanimidamide
SMILES[H]/N=C(N)/C(C)=N/[H]
InChIInChI=1S/C3H7N3/c1-2(4)3(5)6/h4H,1H3,(H3,5,6)/b4-2+
InChIKeyDSIOWFYABIBCFT-DUXPYHPUSA-N
XLogP-0.04
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
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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Related Compounds

2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen
CID 176553349
ethanediimidamide;trihydrochloride
CID 139639987
(Z)-4-iminopent-2-en-3-amine
CID 147180053
cobalt;ethanimidamide
CID 162055614
ethanimidamide;guanidine
CID 160661984
ethanimidamide;hydrate;hydrochloride
CID 160733537
(E)-3-ethanimidoyl-4-methylpent-2-en-2-amine
CID 146526722
cyclopentane;ethanimidamide
CID 158057030
2,4-dioxopentanimidamide
CID 141143667
(Z)-2-tert-butyl-3-hydroxybut-2-enimidamide
CID 137274386
2,3-diiminobutan-1-amine
CID 123340860
(4-amino-3-chloro-4-iminobut-2-en-2-yl)-methylazanium
CID 163855061

Frequently Asked Questions

What is the IUPAC name of 2-iminopropanimidamide?
The IUPAC name of 2-iminopropanimidamide (CID 174066114) is 2-iminopropanimidamide.
What is the SMILES notation for 2-iminopropanimidamide?
The canonical SMILES for 2-iminopropanimidamide is [H]/N=C(N)/C(C)=N/[H].
What is the InChIKey of 2-iminopropanimidamide?
The InChIKey is DSIOWFYABIBCFT-DUXPYHPUSA-N. The full InChI is InChI=1S/C3H7N3/c1-2(4)3(5)6/h4H,1H3,(H3,5,6)/b4-2+.
What are the key properties of 2-iminopropanimidamide?
2-iminopropanimidamide has a molecular weight of 85.11 g/mol, XLogP of -0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminopropanimidamide is sourced from PubChem (CID 174066114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).