2-cyclopropyl-2-(2-methylbutyl)pyrrolidine

C12H23N — CID 66466256

IUPAC2-cyclopropyl-2-(2-methylbutyl)pyrrolidine
SMILESCCC(C)CC1(C2CC2)CCCN1
InChIInChI=1S/C12H23N/c1-3-10(2)9-12(11-5-6-11)7-4-8-13-12/h10-11,13H,3-9H2,1-2H3
InChIKeyWQUQUMKJVPINOR-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds4

About 2-cyclopropyl-2-(2-methylbutyl)pyrrolidine

2-cyclopropyl-2-(2-methylbutyl)pyrrolidine (PubChem CID 66466256) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-methylbutyl)pyrrolidine
PubChem CID66466256
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-cyclopropyl-2-(2-methylbutyl)pyrrolidine
SMILESCCC(C)CC1(C2CC2)CCCN1
InChIInChI=1S/C12H23N/c1-3-10(2)9-12(11-5-6-11)7-4-8-13-12/h10-11,13H,3-9H2,1-2H3
InChIKeyWQUQUMKJVPINOR-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-methylbutyl)pyrrolidine?
The IUPAC name of 2-cyclopropyl-2-(2-methylbutyl)pyrrolidine (CID 66466256) is 2-cyclopropyl-2-(2-methylbutyl)pyrrolidine.
What is the SMILES notation for 2-cyclopropyl-2-(2-methylbutyl)pyrrolidine?
The canonical SMILES for 2-cyclopropyl-2-(2-methylbutyl)pyrrolidine is CCC(C)CC1(C2CC2)CCCN1.
What is the InChIKey of 2-cyclopropyl-2-(2-methylbutyl)pyrrolidine?
The InChIKey is WQUQUMKJVPINOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-10(2)9-12(11-5-6-11)7-4-8-13-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(2-methylbutyl)pyrrolidine?
2-cyclopropyl-2-(2-methylbutyl)pyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-methylbutyl)pyrrolidine is sourced from PubChem (CID 66466256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).