N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide

C7H12N2 — CID 88940713

IUPACN'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
SMILESC=C(C)/C=C(C)\N=C\N
InChIInChI=1S/C7H12N2/c1-6(2)4-7(3)9-5-8/h4-5H,1H2,2-3H3,(H2,8,9)/b7-4-
InChIKeyNQJHUEMCEPOOTA-DAXSKMNVSA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds2

About N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide

N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide (PubChem CID 88940713) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
PubChem CID88940713
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
SMILESC=C(C)/C=C(C)\N=C\N
InChIInChI=1S/C7H12N2/c1-6(2)4-7(3)9-5-8/h4-5H,1H2,2-3H3,(H2,8,9)/b7-4-
InChIKeyNQJHUEMCEPOOTA-DAXSKMNVSA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.45
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'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide?
The IUPAC name of N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide (CID 88940713) is N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide.
What is the SMILES notation for N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide?
The canonical SMILES for N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide is C=C(C)/C=C(C)\N=C\N.
What is the InChIKey of N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide?
The InChIKey is NQJHUEMCEPOOTA-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)4-7(3)9-5-8/h4-5H,1H2,2-3H3,(H2,8,9)/b7-4-.
What are the key properties of N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide?
N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide is sourced from PubChem (CID 88940713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).