(Z)-3-methylhept-5-enimidamide

C8H16N2 — CID 146280233

IUPAC(Z)-3-methylhept-5-enimidamide
SMILES[H]/N=C(\N)CC(C)C/C=C\C
InChIInChI=1S/C8H16N2/c1-3-4-5-7(2)6-8(9)10/h3-4,7H,5-6H2,1-2H3,(H3,9,10)/b4-3-
InChIKeyHNWBPPMZRTVIIL-ARJAWSKDSA-N
MW140.23 g/mol
LogP1.91
Rot. Bonds4

About (Z)-3-methylhept-5-enimidamide

(Z)-3-methylhept-5-enimidamide (PubChem CID 146280233) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-3-methylhept-5-enimidamide.

Molecular Properties

Compound Name(Z)-3-methylhept-5-enimidamide
PubChem CID146280233
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z)-3-methylhept-5-enimidamide
SMILES[H]/N=C(\N)CC(C)C/C=C\C
InChIInChI=1S/C8H16N2/c1-3-4-5-7(2)6-8(9)10/h3-4,7H,5-6H2,1-2H3,(H3,9,10)/b4-3-
InChIKeyHNWBPPMZRTVIIL-ARJAWSKDSA-N
XLogP1.91
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.91
H-Bond Donors ≤ 52
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)-3-methylhept-5-enimidamide?
The IUPAC name of (Z)-3-methylhept-5-enimidamide (CID 146280233) is (Z)-3-methylhept-5-enimidamide.
What is the SMILES notation for (Z)-3-methylhept-5-enimidamide?
The canonical SMILES for (Z)-3-methylhept-5-enimidamide is [H]/N=C(\N)CC(C)C/C=C\C.
What is the InChIKey of (Z)-3-methylhept-5-enimidamide?
The InChIKey is HNWBPPMZRTVIIL-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-5-7(2)6-8(9)10/h3-4,7H,5-6H2,1-2H3,(H3,9,10)/b4-3-.
What are the key properties of (Z)-3-methylhept-5-enimidamide?
(Z)-3-methylhept-5-enimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylhept-5-enimidamide is sourced from PubChem (CID 146280233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).