N-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine

C9H16N2 — CID 155700550

IUPACN-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine
SMILESC=C1C[C@@H](C)CN1/C(C)=N/C
InChIInChI=1S/C9H16N2/c1-7-5-8(2)11(6-7)9(3)10-4/h7H,2,5-6H2,1,3-4H3/b10-9+/t7-/m1/s1
InChIKeyAKIKCMRLUHLDAZ-KOUNZKNHSA-N
MW152.24 g/mol
LogP1.89
Rot. Bonds

About N-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine

N-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine (PubChem CID 155700550) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine.

Molecular Properties

Compound NameN-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine
PubChem CID155700550
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine
SMILESC=C1C[C@@H](C)CN1/C(C)=N/C
InChIInChI=1S/C9H16N2/c1-7-5-8(2)11(6-7)9(3)10-4/h7H,2,5-6H2,1,3-4H3/b10-9+/t7-/m1/s1
InChIKeyAKIKCMRLUHLDAZ-KOUNZKNHSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.89
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-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine?
The IUPAC name of N-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine (CID 155700550) is N-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine.
What is the SMILES notation for N-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine?
The canonical SMILES for N-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine is C=C1C[C@@H](C)CN1/C(C)=N/C.
What is the InChIKey of N-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine?
The InChIKey is AKIKCMRLUHLDAZ-KOUNZKNHSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-5-8(2)11(6-7)9(3)10-4/h7H,2,5-6H2,1,3-4H3/b10-9+/t7-/m1/s1.
What are the key properties of N-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine?
N-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine has a molecular weight of 152.24 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4R)-4-methyl-2-methylidenepyrrolidin-1-yl]ethanimine is sourced from PubChem (CID 155700550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).