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

C8H14N2 — CID 147709094

IUPACN'-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide
SMILESC=C(C)/C=C(C)\N=C(/C)N
InChIInChI=1S/C8H14N2/c1-6(2)5-7(3)10-8(4)9/h5H,1H2,2-4H3,(H2,9,10)/b7-5-
InChIKeyGUIXDDPDCQGVCN-ALCCZGGFSA-N
MW138.21 g/mol
LogP1.84
Rot. Bonds2

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

N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide (PubChem CID 147709094) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide
PubChem CID147709094
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide
SMILESC=C(C)/C=C(C)\N=C(/C)N
InChIInChI=1S/C8H14N2/c1-6(2)5-7(3)10-8(4)9/h5H,1H2,2-4H3,(H2,9,10)/b7-5-
InChIKeyGUIXDDPDCQGVCN-ALCCZGGFSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.84
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]ethanimidamide?
The IUPAC name of N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide (CID 147709094) is N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide is C=C(C)/C=C(C)\N=C(/C)N.
What is the InChIKey of N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide?
The InChIKey is GUIXDDPDCQGVCN-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)5-7(3)10-8(4)9/h5H,1H2,2-4H3,(H2,9,10)/b7-5-.
What are the key properties of N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide?
N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.84, 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]ethanimidamide is sourced from PubChem (CID 147709094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).