(Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine

C15H27N — CID 134422434

IUPAC(Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine
SMILESC/C=C\C(C)(/C=N/C=C(\C)C(C)C)C(C)C
InChIInChI=1S/C15H27N/c1-8-9-15(7,13(4)5)11-16-10-14(6)12(2)3/h8-13H,1-7H3/b9-8-,14-10+,16-11+
InChIKeyQOOAEZVSMSYJAK-MFKVBTNVSA-N
MW221.39 g/mol
LogP4.86
Rot. Bonds5

About (Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine

(Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine (PubChem CID 134422434) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine
PubChem CID134422434
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine
SMILESC/C=C\C(C)(/C=N/C=C(\C)C(C)C)C(C)C
InChIInChI=1S/C15H27N/c1-8-9-15(7,13(4)5)11-16-10-14(6)12(2)3/h8-13H,1-7H3/b9-8-,14-10+,16-11+
InChIKeyQOOAEZVSMSYJAK-MFKVBTNVSA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.86
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 (Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine?
The IUPAC name of (Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine (CID 134422434) is (Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine.
What is the SMILES notation for (Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine?
The canonical SMILES for (Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine is C/C=C\C(C)(/C=N/C=C(\C)C(C)C)C(C)C.
What is the InChIKey of (Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine?
The InChIKey is QOOAEZVSMSYJAK-MFKVBTNVSA-N. The full InChI is InChI=1S/C15H27N/c1-8-9-15(7,13(4)5)11-16-10-14(6)12(2)3/h8-13H,1-7H3/b9-8-,14-10+,16-11+.
What are the key properties of (Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine?
(Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine has a molecular weight of 221.39 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-2-propan-2-ylpent-3-en-1-imine is sourced from PubChem (CID 134422434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).