N-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine

C11H20N2 — CID 123888553

IUPACN-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine
SMILESC/C=N/C(=C1/CNCC1C)C(C)C
InChIInChI=1S/C11H20N2/c1-5-13-11(8(2)3)10-7-12-6-9(10)4/h5,8-9,12H,6-7H2,1-4H3/b11-10-,13-5+
InChIKeySZWMVUPSEMOVDS-RUOUNYFASA-N
MW180.29 g/mol
LogP2.23
Rot. Bonds2

About N-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine

N-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine (PubChem CID 123888553) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine.

Molecular Properties

Compound NameN-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine
PubChem CID123888553
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine
SMILESC/C=N/C(=C1/CNCC1C)C(C)C
InChIInChI=1S/C11H20N2/c1-5-13-11(8(2)3)10-7-12-6-9(10)4/h5,8-9,12H,6-7H2,1-4H3/b11-10-,13-5+
InChIKeySZWMVUPSEMOVDS-RUOUNYFASA-N
XLogP2.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.23
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)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine?
The IUPAC name of N-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine (CID 123888553) is N-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine.
What is the SMILES notation for N-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine?
The canonical SMILES for N-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine is C/C=N/C(=C1/CNCC1C)C(C)C.
What is the InChIKey of N-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine?
The InChIKey is SZWMVUPSEMOVDS-RUOUNYFASA-N. The full InChI is InChI=1S/C11H20N2/c1-5-13-11(8(2)3)10-7-12-6-9(10)4/h5,8-9,12H,6-7H2,1-4H3/b11-10-,13-5+.
What are the key properties of N-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine?
N-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine has a molecular weight of 180.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-methyl-1-(4-methylpyrrolidin-3-ylidene)propyl]ethanimine is sourced from PubChem (CID 123888553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).