N-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine

C11H19N — CID 123514702

IUPACN-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine
SMILESCC/N=C(\CC)C(C)=C1CC1C
InChIInChI=1S/C11H19N/c1-5-11(12-6-2)9(4)10-7-8(10)3/h8H,5-7H2,1-4H3/b10-9?,12-11+
InChIKeyYGSXKZLXJHVYMN-HDNPOCAZSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds3

About N-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine

N-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine (PubChem CID 123514702) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine
PubChem CID123514702
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine
SMILESCC/N=C(\CC)C(C)=C1CC1C
InChIInChI=1S/C11H19N/c1-5-11(12-6-2)9(4)10-7-8(10)3/h8H,5-7H2,1-4H3/b10-9?,12-11+
InChIKeyYGSXKZLXJHVYMN-HDNPOCAZSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
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-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine?
The IUPAC name of N-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine (CID 123514702) is N-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine.
What is the SMILES notation for N-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine?
The canonical SMILES for N-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine is CC/N=C(\CC)C(C)=C1CC1C.
What is the InChIKey of N-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine?
The InChIKey is YGSXKZLXJHVYMN-HDNPOCAZSA-N. The full InChI is InChI=1S/C11H19N/c1-5-11(12-6-2)9(4)10-7-8(10)3/h8H,5-7H2,1-4H3/b10-9?,12-11+.
What are the key properties of N-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine?
N-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylcyclopropylidene)pentan-3-imine is sourced from PubChem (CID 123514702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).