3-methyliminopropanimidamide

C4H9N3 — CID 123915559

IUPAC3-methyliminopropanimidamide
SMILES[H]/N=C(\N)C/C=N/C
InChIInChI=1S/C4H9N3/c1-7-3-2-4(5)6/h3H,2H2,1H3,(H3,5,6)/b7-3+
InChIKeyDWXNFIDFBIEFCH-XVNBXDOJSA-N
MW99.14 g/mol
LogP0.01
Rot. Bonds2

About 3-methyliminopropanimidamide

3-methyliminopropanimidamide (PubChem CID 123915559) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 3-methyliminopropanimidamide.

Molecular Properties

Compound Name3-methyliminopropanimidamide
PubChem CID123915559
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name3-methyliminopropanimidamide
SMILES[H]/N=C(\N)C/C=N/C
InChIInChI=1S/C4H9N3/c1-7-3-2-4(5)6/h3H,2H2,1H3,(H3,5,6)/b7-3+
InChIKeyDWXNFIDFBIEFCH-XVNBXDOJSA-N
XLogP0.01
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 50.01
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyliminopropanimidamide?
The IUPAC name of 3-methyliminopropanimidamide (CID 123915559) is 3-methyliminopropanimidamide.
What is the SMILES notation for 3-methyliminopropanimidamide?
The canonical SMILES for 3-methyliminopropanimidamide is [H]/N=C(\N)C/C=N/C.
What is the InChIKey of 3-methyliminopropanimidamide?
The InChIKey is DWXNFIDFBIEFCH-XVNBXDOJSA-N. The full InChI is InChI=1S/C4H9N3/c1-7-3-2-4(5)6/h3H,2H2,1H3,(H3,5,6)/b7-3+.
What are the key properties of 3-methyliminopropanimidamide?
3-methyliminopropanimidamide has a molecular weight of 99.14 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyliminopropanimidamide is sourced from PubChem (CID 123915559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).