N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide

C9H14N2 — CID 166933538

IUPACN'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide
SMILESC=C(/N=C/N)C(=C)/C(C)=C\C
InChIInChI=1S/C9H14N2/c1-5-7(2)8(3)9(4)11-6-10/h5-6H,3-4H2,1-2H3,(H2,10,11)/b7-5-
InChIKeyZXGDYDQXMWRCBZ-ALCCZGGFSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds3

About N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide

N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide (PubChem CID 166933538) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide
PubChem CID166933538
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide
SMILESC=C(/N=C/N)C(=C)/C(C)=C\C
InChIInChI=1S/C9H14N2/c1-5-7(2)8(3)9(4)11-6-10/h5-6H,3-4H2,1-2H3,(H2,10,11)/b7-5-
InChIKeyZXGDYDQXMWRCBZ-ALCCZGGFSA-N
XLogP2.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide?
The IUPAC name of N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide (CID 166933538) is N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide.
What is the SMILES notation for N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide?
The canonical SMILES for N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide is C=C(/N=C/N)C(=C)/C(C)=C\C.
What is the InChIKey of N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide?
The InChIKey is ZXGDYDQXMWRCBZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-7(2)8(3)9(4)11-6-10/h5-6H,3-4H2,1-2H3,(H2,10,11)/b7-5-.
What are the key properties of N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide?
N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide has a molecular weight of 150.22 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]methanimidamide is sourced from PubChem (CID 166933538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).