N-cyano-N'-propylethanimidamide

C6H11N3 — CID 20774397

IUPACN-cyano-N'-propylethanimidamide
SMILESCCC/N=C(\C)NC#N
InChIInChI=1S/C6H11N3/c1-3-4-8-6(2)9-5-7/h3-4H2,1-2H3,(H,8,9)
InChIKeyYLMJTQLVPWPRDX-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.89
Rot. Bonds2

About N-cyano-N'-propylethanimidamide

N-cyano-N'-propylethanimidamide (PubChem CID 20774397) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-cyano-N'-propylethanimidamide.

Molecular Properties

Compound NameN-cyano-N'-propylethanimidamide
PubChem CID20774397
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-cyano-N'-propylethanimidamide
SMILESCCC/N=C(\C)NC#N
InChIInChI=1S/C6H11N3/c1-3-4-8-6(2)9-5-7/h3-4H2,1-2H3,(H,8,9)
InChIKeyYLMJTQLVPWPRDX-UHFFFAOYSA-N
XLogP0.89
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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 N-cyano-N'-propylethanimidamide?
The IUPAC name of N-cyano-N'-propylethanimidamide (CID 20774397) is N-cyano-N'-propylethanimidamide.
What is the SMILES notation for N-cyano-N'-propylethanimidamide?
The canonical SMILES for N-cyano-N'-propylethanimidamide is CCC/N=C(\C)NC#N.
What is the InChIKey of N-cyano-N'-propylethanimidamide?
The InChIKey is YLMJTQLVPWPRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-4-8-6(2)9-5-7/h3-4H2,1-2H3,(H,8,9).
What are the key properties of N-cyano-N'-propylethanimidamide?
N-cyano-N'-propylethanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-propylethanimidamide is sourced from PubChem (CID 20774397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).