N'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide

C9H17N3 — CID 156543974

IUPACN'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide
SMILESC=C(CC)C(/N=C(\C)N)=C(/C)N
InChIInChI=1S/C9H17N3/c1-5-6(2)9(7(3)10)12-8(4)11/h2,5,10H2,1,3-4H3,(H2,11,12)/b9-7+
InChIKeyLHXISUDEYVJZBS-VQHVLOKHSA-N
MW167.26 g/mol
LogP1.52
Rot. Bonds3

About N'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide

N'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide (PubChem CID 156543974) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide
PubChem CID156543974
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide
SMILESC=C(CC)C(/N=C(\C)N)=C(/C)N
InChIInChI=1S/C9H17N3/c1-5-6(2)9(7(3)10)12-8(4)11/h2,5,10H2,1,3-4H3,(H2,11,12)/b9-7+
InChIKeyLHXISUDEYVJZBS-VQHVLOKHSA-N
XLogP1.52
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide?
The IUPAC name of N'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide (CID 156543974) is N'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide.
What is the SMILES notation for N'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide?
The canonical SMILES for N'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide is C=C(CC)C(/N=C(\C)N)=C(/C)N.
What is the InChIKey of N'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide?
The InChIKey is LHXISUDEYVJZBS-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-6(2)9(7(3)10)12-8(4)11/h2,5,10H2,1,3-4H3,(H2,11,12)/b9-7+.
What are the key properties of N'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide?
N'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-amino-4-methylidenehex-2-en-3-yl]ethanimidamide is sourced from PubChem (CID 156543974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).