N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine

C13H23N — CID 123433831

IUPACN-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine
SMILESC=C(C)CC(CC)C/N=C/C1CC1C
InChIInChI=1S/C13H23N/c1-5-12(6-10(2)3)8-14-9-13-7-11(13)4/h9,11-13H,2,5-8H2,1,3-4H3/b14-9+
InChIKeyZXGVIBBAXSLBRR-NTEUORMPSA-N
MW193.33 g/mol
LogP3.71
Rot. Bonds6

About N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine

N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine (PubChem CID 123433831) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine.

Molecular Properties

Compound NameN-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine
PubChem CID123433831
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine
SMILESC=C(C)CC(CC)C/N=C/C1CC1C
InChIInChI=1S/C13H23N/c1-5-12(6-10(2)3)8-14-9-13-7-11(13)4/h9,11-13H,2,5-8H2,1,3-4H3/b14-9+
InChIKeyZXGVIBBAXSLBRR-NTEUORMPSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.71
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-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine?
The IUPAC name of N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine (CID 123433831) is N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine.
What is the SMILES notation for N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine?
The canonical SMILES for N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine is C=C(C)CC(CC)C/N=C/C1CC1C.
What is the InChIKey of N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine?
The InChIKey is ZXGVIBBAXSLBRR-NTEUORMPSA-N. The full InChI is InChI=1S/C13H23N/c1-5-12(6-10(2)3)8-14-9-13-7-11(13)4/h9,11-13H,2,5-8H2,1,3-4H3/b14-9+.
What are the key properties of N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine?
N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine has a molecular weight of 193.33 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine is sourced from PubChem (CID 123433831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).