2,2-diaminopropanimidamide

C3H10N4 — CID 87520938

IUPAC2,2-diaminopropanimidamide
SMILES[H]/N=C(\N)C(C)(N)N
InChIInChI=1S/C3H10N4/c1-3(6,7)2(4)5/h6-7H2,1H3,(H3,4,5)
InChIKeyNEAFUCUQPBPYFS-UHFFFAOYSA-N
MW102.14 g/mol
LogP-1.44
Rot. Bonds1

About 2,2-diaminopropanimidamide

2,2-diaminopropanimidamide (PubChem CID 87520938) has the molecular formula C3H10N4 and a molecular weight of 102.14 g/mol. Its IUPAC name is 2,2-diaminopropanimidamide.

Molecular Properties

Compound Name2,2-diaminopropanimidamide
PubChem CID87520938
Molecular FormulaC3H10N4
Molecular Weight102.14 g/mol
Exact Mass102.09
IUPAC Name2,2-diaminopropanimidamide
SMILES[H]/N=C(\N)C(C)(N)N
InChIInChI=1S/C3H10N4/c1-3(6,7)2(4)5/h6-7H2,1H3,(H3,4,5)
InChIKeyNEAFUCUQPBPYFS-UHFFFAOYSA-N
XLogP-1.44
TPSA101.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 2,2-diaminopropanimidamide?
The IUPAC name of 2,2-diaminopropanimidamide (CID 87520938) is 2,2-diaminopropanimidamide.
What is the SMILES notation for 2,2-diaminopropanimidamide?
The canonical SMILES for 2,2-diaminopropanimidamide is [H]/N=C(\N)C(C)(N)N.
What is the InChIKey of 2,2-diaminopropanimidamide?
The InChIKey is NEAFUCUQPBPYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4/c1-3(6,7)2(4)5/h6-7H2,1H3,(H3,4,5).
What are the key properties of 2,2-diaminopropanimidamide?
2,2-diaminopropanimidamide has a molecular weight of 102.14 g/mol, XLogP of -1.44, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diaminopropanimidamide is sourced from PubChem (CID 87520938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).