N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide

C5H13N5 — CID 154046173

IUPACN'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide
SMILESCC(N)=NC(N)=NN(C)C
InChIInChI=1S/C5H13N5/c1-4(6)8-5(7)9-10(2)3/h1-3H3,(H4,6,7,8,9)
InChIKeyYGDVASGQPDETFB-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.85
Rot. Bonds1

About N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide

N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide (PubChem CID 154046173) has the molecular formula C5H13N5 and a molecular weight of 143.19 g/mol. Its IUPAC name is N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide.

Molecular Properties

Compound NameN'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide
PubChem CID154046173
Molecular FormulaC5H13N5
Molecular Weight143.19 g/mol
Exact Mass143.12
IUPAC NameN'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide
SMILESCC(N)=NC(N)=NN(C)C
InChIInChI=1S/C5H13N5/c1-4(6)8-5(7)9-10(2)3/h1-3H3,(H4,6,7,8,9)
InChIKeyYGDVASGQPDETFB-UHFFFAOYSA-N
XLogP-0.85
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.85
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'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide?
The IUPAC name of N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide (CID 154046173) is N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide.
What is the SMILES notation for N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide?
The canonical SMILES for N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide is CC(N)=NC(N)=NN(C)C.
What is the InChIKey of N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide?
The InChIKey is YGDVASGQPDETFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5/c1-4(6)8-5(7)9-10(2)3/h1-3H3,(H4,6,7,8,9).
What are the key properties of N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide?
N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide has a molecular weight of 143.19 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide is sourced from PubChem (CID 154046173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).