N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide

C10H17N3 — CID 78146426

IUPACN'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide
SMILESCCC(/N=C(\C)N(C)C)=C(C)C#N
InChIInChI=1S/C10H17N3/c1-6-10(8(2)7-11)12-9(3)13(4)5/h6H2,1-5H3/b10-8?,12-9+
InChIKeyAIGZVQHTUOMPPE-AVZJTKQCSA-N
MW179.27 g/mol
LogP2.17
Rot. Bonds2

About N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide

N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide (PubChem CID 78146426) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide
PubChem CID78146426
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide
SMILESCCC(/N=C(\C)N(C)C)=C(C)C#N
InChIInChI=1S/C10H17N3/c1-6-10(8(2)7-11)12-9(3)13(4)5/h6H2,1-5H3/b10-8?,12-9+
InChIKeyAIGZVQHTUOMPPE-AVZJTKQCSA-N
XLogP2.17
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)ethanimidamide
CID 139818258
N'-(2,4-dimethylpent-2-en-3-yl)-N,N,2-trimethylpropanimidamide
CID 169991234
N'-[(3E)-4-cyano-2,2-dimethylhexa-3,5-dien-3-yl]-N,N-dimethylethanimidamide
CID 170037842
N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane
CID 172628054
N'-[(Z)-2-cyanopent-2-en-3-yl]-N,N-dimethylethanimidamide
CID 7237500
N'-(1,1-dicyanobut-1-en-2-yl)-N,N-dimethylmethanimidamide
CID 12680137
N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide
CID 172628055

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide?
The IUPAC name of N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide (CID 78146426) is N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide is CCC(/N=C(\C)N(C)C)=C(C)C#N.
What is the InChIKey of N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide?
The InChIKey is AIGZVQHTUOMPPE-AVZJTKQCSA-N. The full InChI is InChI=1S/C10H17N3/c1-6-10(8(2)7-11)12-9(3)13(4)5/h6H2,1-5H3/b10-8?,12-9+.
What are the key properties of N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide?
N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide has a molecular weight of 179.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide is sourced from PubChem (CID 78146426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).