(2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide

C10H16N2 — CID 137457996

IUPAC(2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide
SMILESC=C/C=C\C(=N\C=C\C)N(C)C
InChIInChI=1S/C10H16N2/c1-5-7-8-10(12(3)4)11-9-6-2/h5-9H,1H2,2-4H3/b8-7-,9-6+,11-10-
InChIKeyVTQHNZLVUDLWDH-DFVACGMESA-N
MW164.25 g/mol
LogP2.22
Rot. Bonds3

About (2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide

(2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide (PubChem CID 137457996) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide
PubChem CID137457996
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide
SMILESC=C/C=C\C(=N\C=C\C)N(C)C
InChIInChI=1S/C10H16N2/c1-5-7-8-10(12(3)4)11-9-6-2/h5-9H,1H2,2-4H3/b8-7-,9-6+,11-10-
InChIKeyVTQHNZLVUDLWDH-DFVACGMESA-N
XLogP2.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide?
The IUPAC name of (2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide (CID 137457996) is (2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide?
The canonical SMILES for (2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide is C=C/C=C\C(=N\C=C\C)N(C)C.
What is the InChIKey of (2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide?
The InChIKey is VTQHNZLVUDLWDH-DFVACGMESA-N. The full InChI is InChI=1S/C10H16N2/c1-5-7-8-10(12(3)4)11-9-6-2/h5-9H,1H2,2-4H3/b8-7-,9-6+,11-10-.
What are the key properties of (2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide?
(2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide is sourced from PubChem (CID 137457996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).