2-tert-butyl-3-methylpyrrolidine

C9H19N — CID 4311129

IUPAC2-tert-butyl-3-methylpyrrolidine
SMILESCC1CCNC1C(C)(C)C
InChIInChI=1S/C9H19N/c1-7-5-6-10-8(7)9(2,3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyVRCXFJKZOXOOOI-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.03
Rot. Bonds

About 2-tert-butyl-3-methylpyrrolidine

2-tert-butyl-3-methylpyrrolidine (PubChem CID 4311129) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-tert-butyl-3-methylpyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-3-methylpyrrolidine
PubChem CID4311129
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-tert-butyl-3-methylpyrrolidine
SMILESCC1CCNC1C(C)(C)C
InChIInChI=1S/C9H19N/c1-7-5-6-10-8(7)9(2,3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyVRCXFJKZOXOOOI-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methylpyrrolidine?
The IUPAC name of 2-tert-butyl-3-methylpyrrolidine (CID 4311129) is 2-tert-butyl-3-methylpyrrolidine.
What is the SMILES notation for 2-tert-butyl-3-methylpyrrolidine?
The canonical SMILES for 2-tert-butyl-3-methylpyrrolidine is CC1CCNC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methylpyrrolidine?
The InChIKey is VRCXFJKZOXOOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-7-5-6-10-8(7)9(2,3)4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-3-methylpyrrolidine?
2-tert-butyl-3-methylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methylpyrrolidine is sourced from PubChem (CID 4311129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).