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

C7H12N2 — CID 88917570

IUPACN'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(C)=C\N=C(/C)N
InChIInChI=1S/C7H12N2/c1-4-6(2)5-9-7(3)8/h4-5H,1H2,2-3H3,(H2,8,9)/b6-5-
InChIKeyAOTCJXRGPVPPJN-WAYWQWQTSA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds2

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

N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide (PubChem CID 88917570) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
PubChem CID88917570
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(C)=C\N=C(/C)N
InChIInChI=1S/C7H12N2/c1-4-6(2)5-9-7(3)8/h4-5H,1H2,2-3H3,(H2,8,9)/b6-5-
InChIKeyAOTCJXRGPVPPJN-WAYWQWQTSA-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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Related Compounds

2,2,2-trifluoro-N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
CID 88917947
N'-[(1Z)-3-(difluoromethyl)buta-1,3-dienyl]propanimidamide
CID 163851621
Guanidino-Isopren
CID 129646409
N'-[(E)-pent-1-enyl]ethanimidamide
CID 57091878
4-methyl-3H-pyrrol-2-amine
CID 57927514
N'-(2-methylprop-1-enyl)ethanimidamide
CID 85537671
N'-[(1Z)-buta-1,3-dienyl]ethanimidamide
CID 88888743
N'-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ynimidamide
CID 88901115
N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
CID 88931617
N'-[(1Z)-buta-1,3-dienyl]propanimidamide
CID 89008112
N'-[(1Z)-3-methylbuta-1,3-dienyl]propanimidamide
CID 89008269
N'-[(1Z)-2-methylbuta-1,3-dienyl]carbamimidoyl chloride
CID 89140078

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide (CID 88917570) is N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide is C=C/C(C)=C\N=C(/C)N.
What is the InChIKey of N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide?
The InChIKey is AOTCJXRGPVPPJN-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-6(2)5-9-7(3)8/h4-5H,1H2,2-3H3,(H2,8,9)/b6-5-.
What are the key properties of N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide?
N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide 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'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 88917570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).