N'-but-3-enyl-N,2-dicyano-N-propylethanimidamide

C11H16N4 — CID 88813205

IUPACN'-but-3-enyl-N,2-dicyano-N-propylethanimidamide
SMILESC=CCC/N=C(\CC#N)N(C#N)CCC
InChIInChI=1S/C11H16N4/c1-3-5-8-14-11(6-7-12)15(10-13)9-4-2/h3H,1,4-6,8-9H2,2H3/b14-11+
InChIKeyRLPKTQKODBMVGH-SDNWHVSQSA-N
MW204.28 g/mol
LogP2.07
Rot. Bonds6

About N'-but-3-enyl-N,2-dicyano-N-propylethanimidamide

N'-but-3-enyl-N,2-dicyano-N-propylethanimidamide (PubChem CID 88813205) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N'-but-3-enyl-N,2-dicyano-N-propylethanimidamide.

Molecular Properties

Compound NameN'-but-3-enyl-N,2-dicyano-N-propylethanimidamide
PubChem CID88813205
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN'-but-3-enyl-N,2-dicyano-N-propylethanimidamide
SMILESC=CCC/N=C(\CC#N)N(C#N)CCC
InChIInChI=1S/C11H16N4/c1-3-5-8-14-11(6-7-12)15(10-13)9-4-2/h3H,1,4-6,8-9H2,2H3/b14-11+
InChIKeyRLPKTQKODBMVGH-SDNWHVSQSA-N
XLogP2.07
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-but-3-enyl-N,2-dicyano-N-propylethanimidamide?
The IUPAC name of N'-but-3-enyl-N,2-dicyano-N-propylethanimidamide (CID 88813205) is N'-but-3-enyl-N,2-dicyano-N-propylethanimidamide.
What is the SMILES notation for N'-but-3-enyl-N,2-dicyano-N-propylethanimidamide?
The canonical SMILES for N'-but-3-enyl-N,2-dicyano-N-propylethanimidamide is C=CCC/N=C(\CC#N)N(C#N)CCC.
What is the InChIKey of N'-but-3-enyl-N,2-dicyano-N-propylethanimidamide?
The InChIKey is RLPKTQKODBMVGH-SDNWHVSQSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-5-8-14-11(6-7-12)15(10-13)9-4-2/h3H,1,4-6,8-9H2,2H3/b14-11+.
What are the key properties of N'-but-3-enyl-N,2-dicyano-N-propylethanimidamide?
N'-but-3-enyl-N,2-dicyano-N-propylethanimidamide has a molecular weight of 204.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-enyl-N,2-dicyano-N-propylethanimidamide is sourced from PubChem (CID 88813205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).