2-tert-butyl-2-(2-methylpropyl)pyrrolidine

C12H25N — CID 66468102

IUPAC2-tert-butyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(C(C)(C)C)CCCN1
InChIInChI=1S/C12H25N/c1-10(2)9-12(11(3,4)5)7-6-8-13-12/h10,13H,6-9H2,1-5H3
InChIKeyCTLADHHVVWQTGJ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds2

About 2-tert-butyl-2-(2-methylpropyl)pyrrolidine

2-tert-butyl-2-(2-methylpropyl)pyrrolidine (PubChem CID 66468102) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-tert-butyl-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-2-(2-methylpropyl)pyrrolidine
PubChem CID66468102
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-tert-butyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(C(C)(C)C)CCCN1
InChIInChI=1S/C12H25N/c1-10(2)9-12(11(3,4)5)7-6-8-13-12/h10,13H,6-9H2,1-5H3
InChIKeyCTLADHHVVWQTGJ-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 2-tert-butyl-2-(2-methylpropyl)pyrrolidine (CID 66468102) is 2-tert-butyl-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 2-tert-butyl-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 2-tert-butyl-2-(2-methylpropyl)pyrrolidine is CC(C)CC1(C(C)(C)C)CCCN1.
What is the InChIKey of 2-tert-butyl-2-(2-methylpropyl)pyrrolidine?
The InChIKey is CTLADHHVVWQTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)9-12(11(3,4)5)7-6-8-13-12/h10,13H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-2-(2-methylpropyl)pyrrolidine?
2-tert-butyl-2-(2-methylpropyl)pyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 66468102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).