3-ethyl-1H-diazirine;propanimidamide

C6H14N4 — CID 70146643

IUPAC3-ethyl-1H-diazirine;propanimidamide
SMILESCCC1=NN1.[H]/N=C(/N)CC
InChIInChI=1S/C3H6N2.C3H8N2/c1-2-3-4-5-3;1-2-3(4)5/h2H2,1H3,(H,4,5);2H2,1H3,(H3,4,5)
InChIKeyGDJLYZHBDNTNRP-UHFFFAOYSA-N
MW142.21 g/mol
LogP0.65
Rot. Bonds2

About 3-ethyl-1H-diazirine;propanimidamide

3-ethyl-1H-diazirine;propanimidamide (PubChem CID 70146643) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 3-ethyl-1H-diazirine;propanimidamide.

Molecular Properties

Compound Name3-ethyl-1H-diazirine;propanimidamide
PubChem CID70146643
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name3-ethyl-1H-diazirine;propanimidamide
SMILESCCC1=NN1.[H]/N=C(/N)CC
InChIInChI=1S/C3H6N2.C3H8N2/c1-2-3-4-5-3;1-2-3(4)5/h2H2,1H3,(H,4,5);2H2,1H3,(H3,4,5)
InChIKeyGDJLYZHBDNTNRP-UHFFFAOYSA-N
XLogP0.65
TPSA84.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-ethyl-1H-diazirine;propanimidamide?
The IUPAC name of 3-ethyl-1H-diazirine;propanimidamide (CID 70146643) is 3-ethyl-1H-diazirine;propanimidamide.
What is the SMILES notation for 3-ethyl-1H-diazirine;propanimidamide?
The canonical SMILES for 3-ethyl-1H-diazirine;propanimidamide is CCC1=NN1.[H]/N=C(/N)CC.
What is the InChIKey of 3-ethyl-1H-diazirine;propanimidamide?
The InChIKey is GDJLYZHBDNTNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.C3H8N2/c1-2-3-4-5-3;1-2-3(4)5/h2H2,1H3,(H,4,5);2H2,1H3,(H3,4,5).
What are the key properties of 3-ethyl-1H-diazirine;propanimidamide?
3-ethyl-1H-diazirine;propanimidamide has a molecular weight of 142.21 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-diazirine;propanimidamide is sourced from PubChem (CID 70146643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).