N-[(Z)-4-butyloct-2-en-3-yl]ethanimine

C14H27N — CID 137419662

IUPACN-[(Z)-4-butyloct-2-en-3-yl]ethanimine
SMILESC/C=C(\N=C\C)C(CCCC)CCCC
InChIInChI=1S/C14H27N/c1-5-9-11-13(12-10-6-2)14(7-3)15-8-4/h7-8,13H,5-6,9-12H2,1-4H3/b14-7-,15-8+
InChIKeyHJJGTEYWJWDCSK-UFSWOOAPSA-N
MW209.38 g/mol
LogP4.98
Rot. Bonds8

About N-[(Z)-4-butyloct-2-en-3-yl]ethanimine

N-[(Z)-4-butyloct-2-en-3-yl]ethanimine (PubChem CID 137419662) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[(Z)-4-butyloct-2-en-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-4-butyloct-2-en-3-yl]ethanimine
PubChem CID137419662
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[(Z)-4-butyloct-2-en-3-yl]ethanimine
SMILESC/C=C(\N=C\C)C(CCCC)CCCC
InChIInChI=1S/C14H27N/c1-5-9-11-13(12-10-6-2)14(7-3)15-8-4/h7-8,13H,5-6,9-12H2,1-4H3/b14-7-,15-8+
InChIKeyHJJGTEYWJWDCSK-UFSWOOAPSA-N
XLogP4.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.98
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-[(Z)-4-butyloct-2-en-3-yl]ethanimine?
The IUPAC name of N-[(Z)-4-butyloct-2-en-3-yl]ethanimine (CID 137419662) is N-[(Z)-4-butyloct-2-en-3-yl]ethanimine.
What is the SMILES notation for N-[(Z)-4-butyloct-2-en-3-yl]ethanimine?
The canonical SMILES for N-[(Z)-4-butyloct-2-en-3-yl]ethanimine is C/C=C(\N=C\C)C(CCCC)CCCC.
What is the InChIKey of N-[(Z)-4-butyloct-2-en-3-yl]ethanimine?
The InChIKey is HJJGTEYWJWDCSK-UFSWOOAPSA-N. The full InChI is InChI=1S/C14H27N/c1-5-9-11-13(12-10-6-2)14(7-3)15-8-4/h7-8,13H,5-6,9-12H2,1-4H3/b14-7-,15-8+.
What are the key properties of N-[(Z)-4-butyloct-2-en-3-yl]ethanimine?
N-[(Z)-4-butyloct-2-en-3-yl]ethanimine has a molecular weight of 209.38 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-butyloct-2-en-3-yl]ethanimine is sourced from PubChem (CID 137419662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).