N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide

C9H16N2 — CID 123664022

IUPACN'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
SMILESCCC(C)=C/C=C\N=C(/C)N
InChIInChI=1S/C9H16N2/c1-4-8(2)6-5-7-11-9(3)10/h5-7H,4H2,1-3H3,(H2,10,11)/b7-5-,8-6?
InChIKeyGDBWNYOKVDCHEH-WDFIMKRQSA-N
MW152.24 g/mol
LogP2.23
Rot. Bonds3

About N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide

N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide (PubChem CID 123664022) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
PubChem CID123664022
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
SMILESCCC(C)=C/C=C\N=C(/C)N
InChIInChI=1S/C9H16N2/c1-4-8(2)6-5-7-11-9(3)10/h5-7H,4H2,1-3H3,(H2,10,11)/b7-5-,8-6?
InChIKeyGDBWNYOKVDCHEH-WDFIMKRQSA-N
XLogP2.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.23
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
(2E,3Z,5Z)-2-(1-aminoethylidene)-N'-ethenyl-3-fluoro-5-methylhepta-3,5-dienimidamide
CID 173671358
N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide
CID 162560089
(E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide
CID 88565109
N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
CID 88917570
N'-[(1Z)-3-methylbuta-1,3-dienyl]propanimidamide
CID 89008269
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
N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide
CID 118616847

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide (CID 123664022) is N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide is CCC(C)=C/C=C\N=C(/C)N.
What is the InChIKey of N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide?
The InChIKey is GDBWNYOKVDCHEH-WDFIMKRQSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8(2)6-5-7-11-9(3)10/h5-7H,4H2,1-3H3,(H2,10,11)/b7-5-,8-6?.
What are the key properties of N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide?
N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 123664022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).