N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide

C8H14N2 — CID 123670812

IUPACN'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(=C\N=C(/C)N)CC
InChIInChI=1S/C8H14N2/c1-4-8(5-2)6-10-7(3)9/h4,6H,1,5H2,2-3H3,(H2,9,10)/b8-6+
InChIKeyBBOXCEZNCTWECZ-SOFGYWHQSA-N
MW138.21 g/mol
LogP1.84
Rot. Bonds3

About N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide

N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide (PubChem CID 123670812) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide
PubChem CID123670812
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(=C\N=C(/C)N)CC
InChIInChI=1S/C8H14N2/c1-4-8(5-2)6-10-7(3)9/h4,6H,1,5H2,2-3H3,(H2,9,10)/b8-6+
InChIKeyBBOXCEZNCTWECZ-SOFGYWHQSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide
CID 123734495
N'-[(1Z)-3-(difluoromethyl)buta-1,3-dienyl]propanimidamide
CID 163851621
N'-[(E)-pent-1-enyl]ethanimidamide
CID 57091878
N'-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ynimidamide
CID 88901115
N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
CID 88917570
N'-[(1Z)-3-methylbuta-1,3-dienyl]propanimidamide
CID 89008269
N'-[(Z)-2-methylpent-1-enyl]ethanimidamide
CID 89168232
N'-[(Z)-but-1-enyl]ethanimidamide
CID 89322230
2-[(1Z)-2-methylbuta-1,3-dienyl]guanidine
CID 89358741
N'-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidamide
CID 89989589
N'-[(Z)-2-methylbut-1-enyl]ethanimidamide
CID 117660662
N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
CID 123664022

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide (CID 123670812) is N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide is C=C/C(=C\N=C(/C)N)CC.
What is the InChIKey of N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide?
The InChIKey is BBOXCEZNCTWECZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(5-2)6-10-7(3)9/h4,6H,1,5H2,2-3H3,(H2,9,10)/b8-6+.
What are the key properties of N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide?
N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 123670812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).