N-[(E)-5-methyloct-3-en-4-yl]propan-2-imine

C12H23N — CID 170225722

IUPACN-[(E)-5-methyloct-3-en-4-yl]propan-2-imine
SMILESCC/C=C(/N=C(C)C)C(C)CCC
InChIInChI=1S/C12H23N/c1-6-8-11(5)12(9-7-2)13-10(3)4/h9,11H,6-8H2,1-5H3/b12-9+
InChIKeyODLPIXOYNIVQBW-FMIVXFBMSA-N
MW181.32 g/mol
LogP4.20
Rot. Bonds5

About N-[(E)-5-methyloct-3-en-4-yl]propan-2-imine

N-[(E)-5-methyloct-3-en-4-yl]propan-2-imine (PubChem CID 170225722) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(E)-5-methyloct-3-en-4-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(E)-5-methyloct-3-en-4-yl]propan-2-imine
PubChem CID170225722
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(E)-5-methyloct-3-en-4-yl]propan-2-imine
SMILESCC/C=C(/N=C(C)C)C(C)CCC
InChIInChI=1S/C12H23N/c1-6-8-11(5)12(9-7-2)13-10(3)4/h9,11H,6-8H2,1-5H3/b12-9+
InChIKeyODLPIXOYNIVQBW-FMIVXFBMSA-N
XLogP4.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.20
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 N-[(E)-5-methyloct-3-en-4-yl]propan-2-imine?
The IUPAC name of N-[(E)-5-methyloct-3-en-4-yl]propan-2-imine (CID 170225722) is N-[(E)-5-methyloct-3-en-4-yl]propan-2-imine.
What is the SMILES notation for N-[(E)-5-methyloct-3-en-4-yl]propan-2-imine?
The canonical SMILES for N-[(E)-5-methyloct-3-en-4-yl]propan-2-imine is CC/C=C(/N=C(C)C)C(C)CCC.
What is the InChIKey of N-[(E)-5-methyloct-3-en-4-yl]propan-2-imine?
The InChIKey is ODLPIXOYNIVQBW-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H23N/c1-6-8-11(5)12(9-7-2)13-10(3)4/h9,11H,6-8H2,1-5H3/b12-9+.
What are the key properties of N-[(E)-5-methyloct-3-en-4-yl]propan-2-imine?
N-[(E)-5-methyloct-3-en-4-yl]propan-2-imine has a molecular weight of 181.32 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-methyloct-3-en-4-yl]propan-2-imine is sourced from PubChem (CID 170225722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).