ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine

C11H21N — CID 142388751

IUPACethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine
SMILESC=C/C(=C\N=C)C(C)CC.CC
InChIInChI=1S/C9H15N.C2H6/c1-5-8(3)9(6-2)7-10-4;1-2/h6-8H,2,4-5H2,1,3H3;1-2H3/b9-7+;
InChIKeyIKXLXFCBVBQVJW-BXTVWIJMSA-N
MW167.30 g/mol
LogP3.83
Rot. Bonds4

About ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine

ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine (PubChem CID 142388751) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine
PubChem CID142388751
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine
SMILESC=C/C(=C\N=C)C(C)CC.CC
InChIInChI=1S/C9H15N.C2H6/c1-5-8(3)9(6-2)7-10-4;1-2/h6-8H,2,4-5H2,1,3H3;1-2H3/b9-7+;
InChIKeyIKXLXFCBVBQVJW-BXTVWIJMSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine?
The IUPAC name of ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine (CID 142388751) is ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine.
What is the SMILES notation for ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine?
The canonical SMILES for ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine is C=C/C(=C\N=C)C(C)CC.CC.
What is the InChIKey of ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine?
The InChIKey is IKXLXFCBVBQVJW-BXTVWIJMSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-5-8(3)9(6-2)7-10-4;1-2/h6-8H,2,4-5H2,1,3H3;1-2H3/b9-7+;.
What are the key properties of ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine?
ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine has a molecular weight of 167.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine is sourced from PubChem (CID 142388751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).