(Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide

C11H20N2 — CID 155274674

IUPAC(Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide
SMILESC/C=C(C)\C(=N\C)N/C=C/CCC
InChIInChI=1S/C11H20N2/c1-5-7-8-9-13-11(12-4)10(3)6-2/h6,8-9H,5,7H2,1-4H3,(H,12,13)/b9-8+,10-6-
InChIKeyHVHURTHCQVTMGL-JNHVOXPUSA-N
MW180.29 g/mol
LogP2.88
Rot. Bonds4

About (Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide

(Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide (PubChem CID 155274674) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide
PubChem CID155274674
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide
SMILESC/C=C(C)\C(=N\C)N/C=C/CCC
InChIInChI=1S/C11H20N2/c1-5-7-8-9-13-11(12-4)10(3)6-2/h6,8-9H,5,7H2,1-4H3,(H,12,13)/b9-8+,10-6-
InChIKeyHVHURTHCQVTMGL-JNHVOXPUSA-N
XLogP2.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide?
The IUPAC name of (Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide (CID 155274674) is (Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide.
What is the SMILES notation for (Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide?
The canonical SMILES for (Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide is C/C=C(C)\C(=N\C)N/C=C/CCC.
What is the InChIKey of (Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide?
The InChIKey is HVHURTHCQVTMGL-JNHVOXPUSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-7-8-9-13-11(12-4)10(3)6-2/h6,8-9H,5,7H2,1-4H3,(H,12,13)/b9-8+,10-6-.
What are the key properties of (Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide?
(Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide has a molecular weight of 180.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide is sourced from PubChem (CID 155274674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).