N-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine

C9H16N2 — CID 123695366

IUPACN-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine
SMILESC/C=N/C(C)=C1/CNCC1C
InChIInChI=1S/C9H16N2/c1-4-11-8(3)9-6-10-5-7(9)2/h4,7,10H,5-6H2,1-3H3/b9-8-,11-4+
InChIKeyDMEBEKOMBILYID-VIVCGJSESA-N
MW152.24 g/mol
LogP1.59
Rot. Bonds1

About N-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine

N-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine (PubChem CID 123695366) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine.

Molecular Properties

Compound NameN-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine
PubChem CID123695366
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine
SMILESC/C=N/C(C)=C1/CNCC1C
InChIInChI=1S/C9H16N2/c1-4-11-8(3)9-6-10-5-7(9)2/h4,7,10H,5-6H2,1-3H3/b9-8-,11-4+
InChIKeyDMEBEKOMBILYID-VIVCGJSESA-N
XLogP1.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine?
The IUPAC name of N-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine (CID 123695366) is N-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine.
What is the SMILES notation for N-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine?
The canonical SMILES for N-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine is C/C=N/C(C)=C1/CNCC1C.
What is the InChIKey of N-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine?
The InChIKey is DMEBEKOMBILYID-VIVCGJSESA-N. The full InChI is InChI=1S/C9H16N2/c1-4-11-8(3)9-6-10-5-7(9)2/h4,7,10H,5-6H2,1-3H3/b9-8-,11-4+.
What are the key properties of N-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine?
N-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine has a molecular weight of 152.24 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-(4-methylpyrrolidin-3-ylidene)ethyl]ethanimine is sourced from PubChem (CID 123695366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).