N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide

C8H14N2 — CID 135243160

IUPACN-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide
SMILESC=C(/C=C\CC)N/C=N/C
InChIInChI=1S/C8H14N2/c1-4-5-6-8(2)10-7-9-3/h5-7H,2,4H2,1,3H3,(H,9,10)/b6-5-
InChIKeyDGBFZRRMCLLNBW-WAYWQWQTSA-N
MW138.21 g/mol
LogP1.71
Rot. Bonds4

About N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide

N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide (PubChem CID 135243160) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide
PubChem CID135243160
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide
SMILESC=C(/C=C\CC)N/C=N/C
InChIInChI=1S/C8H14N2/c1-4-5-6-8(2)10-7-9-3/h5-7H,2,4H2,1,3H3,(H,9,10)/b6-5-
InChIKeyDGBFZRRMCLLNBW-WAYWQWQTSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.71
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': 'polyene', 'substructure': 'N/A'}

Analyze N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide (CID 135243160) is N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide is C=C(/C=C\CC)N/C=N/C.
What is the InChIKey of N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide?
The InChIKey is DGBFZRRMCLLNBW-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-6-8(2)10-7-9-3/h5-7H,2,4H2,1,3H3,(H,9,10)/b6-5-.
What are the key properties of N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide?
N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 135243160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).