N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide

C9H16N2 — CID 135246476

IUPACN'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(CC)=C(\C)CC
InChIInChI=1S/C9H16N2/c1-5-8(3)9(6-2)11-7-10-4/h7H,4-6H2,1-3H3/b9-8+,11-7+
InChIKeyRODMZZWQONUZHQ-WSMCZHAYSA-N
MW152.24 g/mol
LogP2.81
Rot. Bonds4

About N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide

N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide (PubChem CID 135246476) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide
PubChem CID135246476
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(CC)=C(\C)CC
InChIInChI=1S/C9H16N2/c1-5-8(3)9(6-2)11-7-10-4/h7H,4-6H2,1-3H3/b9-8+,11-7+
InChIKeyRODMZZWQONUZHQ-WSMCZHAYSA-N
XLogP2.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.81
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide (CID 135246476) is N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide is C=N/C=N/C(CC)=C(\C)CC.
What is the InChIKey of N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide?
The InChIKey is RODMZZWQONUZHQ-WSMCZHAYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-8(3)9(6-2)11-7-10-4/h7H,4-6H2,1-3H3/b9-8+,11-7+.
What are the key properties of N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide?
N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide is sourced from PubChem (CID 135246476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).