(E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine

C12H21N — CID 126707039

IUPAC(E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine
SMILESCCC/C=C/N=C/C=C(\C)CCC
InChIInChI=1S/C12H21N/c1-4-6-7-10-13-11-9-12(3)8-5-2/h7,9-11H,4-6,8H2,1-3H3/b10-7+,12-9+,13-11+
InChIKeyUGRKOQUHPURECL-SRLDYCOKSA-N
MW179.31 g/mol
LogP4.12
Rot. Bonds6

About (E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine

(E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine (PubChem CID 126707039) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine
PubChem CID126707039
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine
SMILESCCC/C=C/N=C/C=C(\C)CCC
InChIInChI=1S/C12H21N/c1-4-6-7-10-13-11-9-12(3)8-5-2/h7,9-11H,4-6,8H2,1-3H3/b10-7+,12-9+,13-11+
InChIKeyUGRKOQUHPURECL-SRLDYCOKSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine?
The IUPAC name of (E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine (CID 126707039) is (E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine.
What is the SMILES notation for (E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine?
The canonical SMILES for (E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine is CCC/C=C/N=C/C=C(\C)CCC.
What is the InChIKey of (E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine?
The InChIKey is UGRKOQUHPURECL-SRLDYCOKSA-N. The full InChI is InChI=1S/C12H21N/c1-4-6-7-10-13-11-9-12(3)8-5-2/h7,9-11H,4-6,8H2,1-3H3/b10-7+,12-9+,13-11+.
What are the key properties of (E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine?
(E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine is sourced from PubChem (CID 126707039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).