2-(2-methylpropyl)pyrrolidine

C8H17N — CID 3613277

IUPAC2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CCCN1
InChIInChI=1S/C8H17N/c1-7(2)6-8-4-3-5-9-8/h7-9H,3-6H2,1-2H3
InChIKeyGNUABXXBKUNKNU-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds2

About 2-(2-methylpropyl)pyrrolidine

2-(2-methylpropyl)pyrrolidine (PubChem CID 3613277) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-methylpropyl)pyrrolidine
PubChem CID3613277
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CCCN1
InChIInChI=1S/C8H17N/c1-7(2)6-8-4-3-5-9-8/h7-9H,3-6H2,1-2H3
InChIKeyGNUABXXBKUNKNU-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 2-(2-methylpropyl)pyrrolidine (CID 3613277) is 2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 2-(2-methylpropyl)pyrrolidine is CC(C)CC1CCCN1.
What is the InChIKey of 2-(2-methylpropyl)pyrrolidine?
The InChIKey is GNUABXXBKUNKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)6-8-4-3-5-9-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)pyrrolidine?
2-(2-methylpropyl)pyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 3613277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).