2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide

C12H21N3 — CID 126593692

IUPAC2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide
SMILESCCC/C=C/N=C(N)/C=N/C=C/C(C)C
InChIInChI=1S/C12H21N3/c1-4-5-6-8-15-12(13)10-14-9-7-11(2)3/h6-11H,4-5H2,1-3H3,(H2,13,15)/b8-6+,9-7+,14-10+
InChIKeyVPZMXICYSCXZPN-NTRZSKOASA-N
MW207.32 g/mol
LogP2.90
Rot. Bonds6

About 2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide

2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide (PubChem CID 126593692) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide.

Molecular Properties

Compound Name2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide
PubChem CID126593692
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide
SMILESCCC/C=C/N=C(N)/C=N/C=C/C(C)C
InChIInChI=1S/C12H21N3/c1-4-5-6-8-15-12(13)10-14-9-7-11(2)3/h6-11H,4-5H2,1-3H3,(H2,13,15)/b8-6+,9-7+,14-10+
InChIKeyVPZMXICYSCXZPN-NTRZSKOASA-N
XLogP2.90
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide?
The IUPAC name of 2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide (CID 126593692) is 2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide.
What is the SMILES notation for 2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide?
The canonical SMILES for 2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide is CCC/C=C/N=C(N)/C=N/C=C/C(C)C.
What is the InChIKey of 2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide?
The InChIKey is VPZMXICYSCXZPN-NTRZSKOASA-N. The full InChI is InChI=1S/C12H21N3/c1-4-5-6-8-15-12(13)10-14-9-7-11(2)3/h6-11H,4-5H2,1-3H3,(H2,13,15)/b8-6+,9-7+,14-10+.
What are the key properties of 2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide?
2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide has a molecular weight of 207.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide is sourced from PubChem (CID 126593692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).