cyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine

C11H20N2 — CID 131059532

IUPACcyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CC(C)C(C)C1C
InChIInChI=1S/C11H20N2/c1-7-6-13(9(3)8(7)2)11(12)10-4-5-10/h7-10,12H,4-6H2,1-3H3/b12-11+
InChIKeyAYXJQSDIZJMUCJ-VAWYXSNFSA-N
MW180.29 g/mol
LogP2.35
Rot. Bonds1

About cyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine

cyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine (PubChem CID 131059532) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is cyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine.

Molecular Properties

Compound Namecyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine
PubChem CID131059532
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Namecyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CC(C)C(C)C1C
InChIInChI=1S/C11H20N2/c1-7-6-13(9(3)8(7)2)11(12)10-4-5-10/h7-10,12H,4-6H2,1-3H3/b12-11+
InChIKeyAYXJQSDIZJMUCJ-VAWYXSNFSA-N
XLogP2.35
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
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 cyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine?
The IUPAC name of cyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine (CID 131059532) is cyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine.
What is the SMILES notation for cyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine?
The canonical SMILES for cyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine is [H]/N=C(\C1CC1)N1CC(C)C(C)C1C.
What is the InChIKey of cyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine?
The InChIKey is AYXJQSDIZJMUCJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2/c1-7-6-13(9(3)8(7)2)11(12)10-4-5-10/h7-10,12H,4-6H2,1-3H3/b12-11+.
What are the key properties of cyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine?
cyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine has a molecular weight of 180.29 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2,3,4-trimethylpyrrolidin-1-yl)methanimine is sourced from PubChem (CID 131059532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).