2-imino-N-propylideneethanimidamide

C5H9N3 — CID 153377705

IUPAC2-imino-N-propylideneethanimidamide
SMILES[H]/N=C/C(/N=C/CC)=N\[H]
InChIInChI=1S/C5H9N3/c1-2-3-8-5(7)4-6/h3-4,6-7H,2H2,1H3/b6-4+,7-5+,8-3+
InChIKeyGXOTVEQGQOJZCO-GSTPORAJSA-N
MW111.15 g/mol
LogP1.09
Rot. Bonds2

About 2-imino-N-propylideneethanimidamide

2-imino-N-propylideneethanimidamide (PubChem CID 153377705) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 2-imino-N-propylideneethanimidamide.

Molecular Properties

Compound Name2-imino-N-propylideneethanimidamide
PubChem CID153377705
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name2-imino-N-propylideneethanimidamide
SMILES[H]/N=C/C(/N=C/CC)=N\[H]
InChIInChI=1S/C5H9N3/c1-2-3-8-5(7)4-6/h3-4,6-7H,2H2,1H3/b6-4+,7-5+,8-3+
InChIKeyGXOTVEQGQOJZCO-GSTPORAJSA-N
XLogP1.09
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 51.09
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 2-imino-N-propylideneethanimidamide?
The IUPAC name of 2-imino-N-propylideneethanimidamide (CID 153377705) is 2-imino-N-propylideneethanimidamide.
What is the SMILES notation for 2-imino-N-propylideneethanimidamide?
The canonical SMILES for 2-imino-N-propylideneethanimidamide is [H]/N=C/C(/N=C/CC)=N\[H].
What is the InChIKey of 2-imino-N-propylideneethanimidamide?
The InChIKey is GXOTVEQGQOJZCO-GSTPORAJSA-N. The full InChI is InChI=1S/C5H9N3/c1-2-3-8-5(7)4-6/h3-4,6-7H,2H2,1H3/b6-4+,7-5+,8-3+.
What are the key properties of 2-imino-N-propylideneethanimidamide?
2-imino-N-propylideneethanimidamide has a molecular weight of 111.15 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-propylideneethanimidamide is sourced from PubChem (CID 153377705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).