N'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide

C10H18N2 — CID 155311213

IUPACN'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide
SMILESC=C/C(C)=C(\N=C(/C)N)C(C)C
InChIInChI=1S/C10H18N2/c1-6-8(4)10(7(2)3)12-9(5)11/h6-7H,1H2,2-5H3,(H2,11,12)/b10-8-
InChIKeyPLHQSUMHPFIPRF-NTMALXAHSA-N
MW166.27 g/mol
LogP2.48
Rot. Bonds3

About N'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide

N'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide (PubChem CID 155311213) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide
PubChem CID155311213
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide
SMILESC=C/C(C)=C(\N=C(/C)N)C(C)C
InChIInChI=1S/C10H18N2/c1-6-8(4)10(7(2)3)12-9(5)11/h6-7H,1H2,2-5H3,(H2,11,12)/b10-8-
InChIKeyPLHQSUMHPFIPRF-NTMALXAHSA-N
XLogP2.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.48
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'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide?
The IUPAC name of N'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide (CID 155311213) is N'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide.
What is the SMILES notation for N'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide?
The canonical SMILES for N'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide is C=C/C(C)=C(\N=C(/C)N)C(C)C.
What is the InChIKey of N'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide?
The InChIKey is PLHQSUMHPFIPRF-NTMALXAHSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-8(4)10(7(2)3)12-9(5)11/h6-7H,1H2,2-5H3,(H2,11,12)/b10-8-.
What are the key properties of N'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide?
N'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide is sourced from PubChem (CID 155311213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).