(2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine

C9H19N — CID 134849029

IUPAC(2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@@H]1CC[C@H](C)N1
InChIInChI=1S/C9H19N/c1-7(2)6-9-5-4-8(3)10-9/h7-10H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyCBUNGLKWQBSGSA-IUCAKERBSA-N
MW141.26 g/mol
LogP2.17
Rot. Bonds2

About (2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine

(2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine (PubChem CID 134849029) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine
PubChem CID134849029
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@@H]1CC[C@H](C)N1
InChIInChI=1S/C9H19N/c1-7(2)6-9-5-4-8(3)10-9/h7-10H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyCBUNGLKWQBSGSA-IUCAKERBSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine?
The IUPAC name of (2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine (CID 134849029) is (2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine is CC(C)C[C@@H]1CC[C@H](C)N1.
What is the InChIKey of (2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine?
The InChIKey is CBUNGLKWQBSGSA-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)6-9-5-4-8(3)10-9/h7-10H,4-6H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine?
(2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 134849029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).