(Z)-N-pentan-2-yloct-2-en-1-imine

C13H25N — CID 123412840

IUPAC(Z)-N-pentan-2-yloct-2-en-1-imine
SMILESCCCCC/C=C\C=N\C(C)CCC
InChIInChI=1S/C13H25N/c1-4-6-7-8-9-10-12-14-13(3)11-5-2/h9-10,12-13H,4-8,11H2,1-3H3/b10-9-,14-12+
InChIKeyVNCDMJYHULVJAH-FMDFGENTSA-N
MW195.35 g/mol
LogP4.38
Rot. Bonds8

About (Z)-N-pentan-2-yloct-2-en-1-imine

(Z)-N-pentan-2-yloct-2-en-1-imine (PubChem CID 123412840) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (Z)-N-pentan-2-yloct-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-pentan-2-yloct-2-en-1-imine
PubChem CID123412840
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(Z)-N-pentan-2-yloct-2-en-1-imine
SMILESCCCCC/C=C\C=N\C(C)CCC
InChIInChI=1S/C13H25N/c1-4-6-7-8-9-10-12-14-13(3)11-5-2/h9-10,12-13H,4-8,11H2,1-3H3/b10-9-,14-12+
InChIKeyVNCDMJYHULVJAH-FMDFGENTSA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2,3-dihydropyridine
CID 21652564
2,3-Diethyl-2,3-dihydropyridine
CID 53814937
2-Propyl-2,3-dihydropyridine
CID 68521817
(E)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 22086824
N-hexylhex-3-en-1-imine
CID 56985502
N-hept-4-en-2-yloctan-1-imine
CID 57114269
N-propylhex-2-en-1-imine
CID 57162826
2,3-Di(propan-2-yl)-2,3-dihydropyridine
CID 59427901
(Z)-4,4-dimethyl-N-propan-2-ylpent-2-en-1-imine
CID 59848903
(Z)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 59967160
(2E)-N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 60138467
2-Pentyl-2,3-dihydropyridine
CID 66908176

Frequently Asked Questions

What is the IUPAC name of (Z)-N-pentan-2-yloct-2-en-1-imine?
The IUPAC name of (Z)-N-pentan-2-yloct-2-en-1-imine (CID 123412840) is (Z)-N-pentan-2-yloct-2-en-1-imine.
What is the SMILES notation for (Z)-N-pentan-2-yloct-2-en-1-imine?
The canonical SMILES for (Z)-N-pentan-2-yloct-2-en-1-imine is CCCCC/C=C\C=N\C(C)CCC.
What is the InChIKey of (Z)-N-pentan-2-yloct-2-en-1-imine?
The InChIKey is VNCDMJYHULVJAH-FMDFGENTSA-N. The full InChI is InChI=1S/C13H25N/c1-4-6-7-8-9-10-12-14-13(3)11-5-2/h9-10,12-13H,4-8,11H2,1-3H3/b10-9-,14-12+.
What are the key properties of (Z)-N-pentan-2-yloct-2-en-1-imine?
(Z)-N-pentan-2-yloct-2-en-1-imine has a molecular weight of 195.35 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-pentan-2-yloct-2-en-1-imine is sourced from PubChem (CID 123412840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).