2-tert-butylpyrrolidine;methane

C9H21N — CID 174978961

IUPAC2-tert-butylpyrrolidine;methane
SMILESC.CC(C)(C)C1CCCN1
InChIInChI=1S/C8H17N.CH4/c1-8(2,3)7-5-4-6-9-7;/h7,9H,4-6H2,1-3H3;1H4
InChIKeyCZAUXWVNHPBYPL-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.42
Rot. Bonds

About 2-tert-butylpyrrolidine;methane

2-tert-butylpyrrolidine;methane (PubChem CID 174978961) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 2-tert-butylpyrrolidine;methane.

Molecular Properties

Compound Name2-tert-butylpyrrolidine;methane
PubChem CID174978961
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name2-tert-butylpyrrolidine;methane
SMILESC.CC(C)(C)C1CCCN1
InChIInChI=1S/C8H17N.CH4/c1-8(2,3)7-5-4-6-9-7;/h7,9H,4-6H2,1-3H3;1H4
InChIKeyCZAUXWVNHPBYPL-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyrrolidine;methane?
The IUPAC name of 2-tert-butylpyrrolidine;methane (CID 174978961) is 2-tert-butylpyrrolidine;methane.
What is the SMILES notation for 2-tert-butylpyrrolidine;methane?
The canonical SMILES for 2-tert-butylpyrrolidine;methane is C.CC(C)(C)C1CCCN1.
What is the InChIKey of 2-tert-butylpyrrolidine;methane?
The InChIKey is CZAUXWVNHPBYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.CH4/c1-8(2,3)7-5-4-6-9-7;/h7,9H,4-6H2,1-3H3;1H4.
What are the key properties of 2-tert-butylpyrrolidine;methane?
2-tert-butylpyrrolidine;methane has a molecular weight of 143.27 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyrrolidine;methane is sourced from PubChem (CID 174978961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).