(Z)-N'-ethenyl-3-methylhept-4-enimidamide

C10H18N2 — CID 139541814

IUPAC(Z)-N'-ethenyl-3-methylhept-4-enimidamide
SMILESC=C/N=C(\N)CC(C)/C=C\CC
InChIInChI=1S/C10H18N2/c1-4-6-7-9(3)8-10(11)12-5-2/h5-7,9H,2,4,8H2,1,3H3,(H2,11,12)/b7-6-
InChIKeyPQRXEUURRJVZIO-SREVYHEPSA-N
MW166.27 g/mol
LogP2.48
Rot. Bonds5

About (Z)-N'-ethenyl-3-methylhept-4-enimidamide

(Z)-N'-ethenyl-3-methylhept-4-enimidamide (PubChem CID 139541814) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-N'-ethenyl-3-methylhept-4-enimidamide.

Molecular Properties

Compound Name(Z)-N'-ethenyl-3-methylhept-4-enimidamide
PubChem CID139541814
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-N'-ethenyl-3-methylhept-4-enimidamide
SMILESC=C/N=C(\N)CC(C)/C=C\CC
InChIInChI=1S/C10H18N2/c1-4-6-7-9(3)8-10(11)12-5-2/h5-7,9H,2,4,8H2,1,3H3,(H2,11,12)/b7-6-
InChIKeyPQRXEUURRJVZIO-SREVYHEPSA-N
XLogP2.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.48
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethenyl-3-methylhept-4-enimidamide?
The IUPAC name of (Z)-N'-ethenyl-3-methylhept-4-enimidamide (CID 139541814) is (Z)-N'-ethenyl-3-methylhept-4-enimidamide.
What is the SMILES notation for (Z)-N'-ethenyl-3-methylhept-4-enimidamide?
The canonical SMILES for (Z)-N'-ethenyl-3-methylhept-4-enimidamide is C=C/N=C(\N)CC(C)/C=C\CC.
What is the InChIKey of (Z)-N'-ethenyl-3-methylhept-4-enimidamide?
The InChIKey is PQRXEUURRJVZIO-SREVYHEPSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-6-7-9(3)8-10(11)12-5-2/h5-7,9H,2,4,8H2,1,3H3,(H2,11,12)/b7-6-.
What are the key properties of (Z)-N'-ethenyl-3-methylhept-4-enimidamide?
(Z)-N'-ethenyl-3-methylhept-4-enimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethenyl-3-methylhept-4-enimidamide is sourced from PubChem (CID 139541814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).