N-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine

C13H23N — CID 90907463

IUPACN-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine
SMILESC=NC1(CC)C(C(=C)C)C1(C)CCC
InChIInChI=1S/C13H23N/c1-7-9-12(5)11(10(3)4)13(12,8-2)14-6/h11H,3,6-9H2,1-2,4-5H3
InChIKeyXJAXXAGBSTVIFT-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds5

About N-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine

N-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine (PubChem CID 90907463) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine.

Molecular Properties

Compound NameN-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine
PubChem CID90907463
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine
SMILESC=NC1(CC)C(C(=C)C)C1(C)CCC
InChIInChI=1S/C13H23N/c1-7-9-12(5)11(10(3)4)13(12,8-2)14-6/h11H,3,6-9H2,1-2,4-5H3
InChIKeyXJAXXAGBSTVIFT-UHFFFAOYSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.85
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-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine?
The IUPAC name of N-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine (CID 90907463) is N-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine.
What is the SMILES notation for N-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine?
The canonical SMILES for N-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine is C=NC1(CC)C(C(=C)C)C1(C)CCC.
What is the InChIKey of N-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine?
The InChIKey is XJAXXAGBSTVIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-7-9-12(5)11(10(3)4)13(12,8-2)14-6/h11H,3,6-9H2,1-2,4-5H3.
What are the key properties of N-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine?
N-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine has a molecular weight of 193.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-methyl-3-prop-1-en-2-yl-2-propylcyclopropyl)methanimine is sourced from PubChem (CID 90907463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).