ethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine

C15H29N — CID 176961629

IUPACethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine
SMILESC/C=C\C/C(=N\C=C(/C)CC)C(C)C.CC
InChIInChI=1S/C13H23N.C2H6/c1-6-8-9-13(11(3)4)14-10-12(5)7-2;1-2/h6,8,10-11H,7,9H2,1-5H3;1-2H3/b8-6-,12-10+,14-13+;
InChIKeyLNPQUGALIKHLDJ-BBUHDLOHSA-N
MW223.40 g/mol
LogP5.39
Rot. Bonds5

About ethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine

ethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine (PubChem CID 176961629) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is ethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine.

Molecular Properties

Compound Nameethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine
PubChem CID176961629
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Nameethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine
SMILESC/C=C\C/C(=N\C=C(/C)CC)C(C)C.CC
InChIInChI=1S/C13H23N.C2H6/c1-6-8-9-13(11(3)4)14-10-12(5)7-2;1-2/h6,8,10-11H,7,9H2,1-5H3;1-2H3/b8-6-,12-10+,14-13+;
InChIKeyLNPQUGALIKHLDJ-BBUHDLOHSA-N
XLogP5.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.40
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine?
The IUPAC name of ethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine (CID 176961629) is ethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine.
What is the SMILES notation for ethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine?
The canonical SMILES for ethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine is C/C=C\C/C(=N\C=C(/C)CC)C(C)C.CC.
What is the InChIKey of ethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine?
The InChIKey is LNPQUGALIKHLDJ-BBUHDLOHSA-N. The full InChI is InChI=1S/C13H23N.C2H6/c1-6-8-9-13(11(3)4)14-10-12(5)7-2;1-2/h6,8,10-11H,7,9H2,1-5H3;1-2H3/b8-6-,12-10+,14-13+;.
What are the key properties of ethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine?
ethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine has a molecular weight of 223.40 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-methyl-N-[(E)-2-methylbut-1-enyl]hept-5-en-3-imine is sourced from PubChem (CID 176961629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).