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

C8H14N2 — CID 134372298

IUPACN'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide
SMILESC/C=C/C(C)=C\N=C(/C)N
InChIInChI=1S/C8H14N2/c1-4-5-7(2)6-10-8(3)9/h4-6H,1-3H3,(H2,9,10)/b5-4+,7-6-
InChIKeySNOAXSBYTGJERS-DEQVHDEQSA-N
MW138.21 g/mol
LogP1.84
Rot. Bonds2

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

N'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide (PubChem CID 134372298) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide
PubChem CID134372298
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide
SMILESC/C=C/C(C)=C\N=C(/C)N
InChIInChI=1S/C8H14N2/c1-4-5-7(2)6-10-8(3)9/h4-6H,1-3H3,(H2,9,10)/b5-4+,7-6-
InChIKeySNOAXSBYTGJERS-DEQVHDEQSA-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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Related Compounds

3H-Azepin-2-amine
CID 12372783
N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide
CID 162560089
4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine
CID 58310005
3-methylidene-2H-pyridin-6-amine
CID 67442857
N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
CID 88917570
N'-[(1Z)-3-methylbuta-1,3-dienyl]propanimidamide
CID 89008269
5-ethenyl-3-ethyl-4H-azepin-7-amine
CID 89627152
N'-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidamide
CID 89989589
(Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide
CID 91013982
N'-(2-ethylidenehex-3-enyl)propanimidamide
CID 91395600
4-ethyl-3H-azepin-2-amine
CID 118297635
(3Z)-3-[(Z)-2-methylbut-2-enylidene]pyrrol-2-amine
CID 118474874

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide (CID 134372298) is N'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide is C/C=C/C(C)=C\N=C(/C)N.
What is the InChIKey of N'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide?
The InChIKey is SNOAXSBYTGJERS-DEQVHDEQSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-7(2)6-10-8(3)9/h4-6H,1-3H3,(H2,9,10)/b5-4+,7-6-.
What are the key properties of N'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide?
N'-[(1Z,3E)-2-methylpenta-1,3-dienyl]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'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 134372298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).