N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine

C15H25N — CID 130336680

IUPACN-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine
SMILESC=NC1=C(C(/C=C/CCC)CC)CCCC1
InChIInChI=1S/C15H25N/c1-4-6-7-10-13(5-2)14-11-8-9-12-15(14)16-3/h7,10,13H,3-6,8-9,11-12H2,1-2H3/b10-7+
InChIKeyPUTSVRQSZXIJNO-JXMROGBWSA-N
MW219.37 g/mol
LogP4.90
Rot. Bonds6

About N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine

N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine (PubChem CID 130336680) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine.

Molecular Properties

Compound NameN-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine
PubChem CID130336680
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine
SMILESC=NC1=C(C(/C=C/CCC)CC)CCCC1
InChIInChI=1S/C15H25N/c1-4-6-7-10-13(5-2)14-11-8-9-12-15(14)16-3/h7,10,13H,3-6,8-9,11-12H2,1-2H3/b10-7+
InChIKeyPUTSVRQSZXIJNO-JXMROGBWSA-N
XLogP4.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.90
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 N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine?
The IUPAC name of N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine (CID 130336680) is N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine.
What is the SMILES notation for N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine?
The canonical SMILES for N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine is C=NC1=C(C(/C=C/CCC)CC)CCCC1.
What is the InChIKey of N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine?
The InChIKey is PUTSVRQSZXIJNO-JXMROGBWSA-N. The full InChI is InChI=1S/C15H25N/c1-4-6-7-10-13(5-2)14-11-8-9-12-15(14)16-3/h7,10,13H,3-6,8-9,11-12H2,1-2H3/b10-7+.
What are the key properties of N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine?
N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine has a molecular weight of 219.37 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine is sourced from PubChem (CID 130336680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).