N-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine

C10H20N2 — CID 138723593

IUPACN-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine
SMILESC/N=C(\C)N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C10H20N2/c1-8-6-10(3,4)12(7-8)9(2)11-5/h8H,6-7H2,1-5H3/b11-9+/t8-/m0/s1
InChIKeyJFGPLGVKMYKMJY-QMIUEANQSA-N
MW168.28 g/mol
LogP2.15
Rot. Bonds

About N-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine

N-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine (PubChem CID 138723593) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine.

Molecular Properties

Compound NameN-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine
PubChem CID138723593
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine
SMILESC/N=C(\C)N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C10H20N2/c1-8-6-10(3,4)12(7-8)9(2)11-5/h8H,6-7H2,1-5H3/b11-9+/t8-/m0/s1
InChIKeyJFGPLGVKMYKMJY-QMIUEANQSA-N
XLogP2.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine?
The IUPAC name of N-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine (CID 138723593) is N-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine.
What is the SMILES notation for N-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine?
The canonical SMILES for N-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine is C/N=C(\C)N1C[C@@H](C)CC1(C)C.
What is the InChIKey of N-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine?
The InChIKey is JFGPLGVKMYKMJY-QMIUEANQSA-N. The full InChI is InChI=1S/C10H20N2/c1-8-6-10(3,4)12(7-8)9(2)11-5/h8H,6-7H2,1-5H3/b11-9+/t8-/m0/s1.
What are the key properties of N-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine?
N-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine has a molecular weight of 168.28 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine is sourced from PubChem (CID 138723593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).