(Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine

C14H27N — CID 123439737

IUPAC(Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine
SMILESCCC(CC)C(C)/C=C\C(C)=N\C(C)C
InChIInChI=1S/C14H27N/c1-7-14(8-2)12(5)9-10-13(6)15-11(3)4/h9-12,14H,7-8H2,1-6H3/b10-9-,15-13+
InChIKeyVWXJAFMCLXYQKS-JZZUDSPYSA-N
MW209.38 g/mol
LogP4.48
Rot. Bonds6

About (Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine

(Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine (PubChem CID 123439737) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine.

Molecular Properties

Compound Name(Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine
PubChem CID123439737
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine
SMILESCCC(CC)C(C)/C=C\C(C)=N\C(C)C
InChIInChI=1S/C14H27N/c1-7-14(8-2)12(5)9-10-13(6)15-11(3)4/h9-12,14H,7-8H2,1-6H3/b10-9-,15-13+
InChIKeyVWXJAFMCLXYQKS-JZZUDSPYSA-N
XLogP4.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine
CID 166470434
(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
CID 173683200
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
CID 58402716
N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 58916542
2,3-Di(propan-2-yl)-2,3-dihydropyridine
CID 59427901
N-(4-methylpentan-2-yl)cyclohexa-2,5-dien-1-imine
CID 66749595
(2S)-2-methyl-6-(2-methylpropyl)-2,3-dihydropyridine
CID 67991639
(3R)-2,3,6-trimethyl-2,3-dihydropyridine
CID 68330511
3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine
CID 69923477
(5E,9E)-2-pent-3-en-2-yl-1-azacyclododeca-1,5,9-triene
CID 70585414
2-Pent-3-en-2-yl-1-azacyclododeca-1,5,9-triene
CID 70585416

Frequently Asked Questions

What is the IUPAC name of (Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine?
The IUPAC name of (Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine (CID 123439737) is (Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine.
What is the SMILES notation for (Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine?
The canonical SMILES for (Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine is CCC(CC)C(C)/C=C\C(C)=N\C(C)C.
What is the InChIKey of (Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine?
The InChIKey is VWXJAFMCLXYQKS-JZZUDSPYSA-N. The full InChI is InChI=1S/C14H27N/c1-7-14(8-2)12(5)9-10-13(6)15-11(3)4/h9-12,14H,7-8H2,1-6H3/b10-9-,15-13+.
What are the key properties of (Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine?
(Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine has a molecular weight of 209.38 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-ethyl-5-methyl-N-propan-2-yloct-3-en-2-imine is sourced from PubChem (CID 123439737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).