(3S)-1,3-di(propan-2-yl)pyrrolidine

C10H21N — CID 58803039

IUPAC(3S)-1,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C10H21N/c1-8(2)10-5-6-11(7-10)9(3)4/h8-10H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyMDBBCBCCJLRWJY-SNVBAGLBSA-N
MW155.28 g/mol
LogP2.37
Rot. Bonds2

About (3S)-1,3-di(propan-2-yl)pyrrolidine

(3S)-1,3-di(propan-2-yl)pyrrolidine (PubChem CID 58803039) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (3S)-1,3-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(3S)-1,3-di(propan-2-yl)pyrrolidine
PubChem CID58803039
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(3S)-1,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C10H21N/c1-8(2)10-5-6-11(7-10)9(3)4/h8-10H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyMDBBCBCCJLRWJY-SNVBAGLBSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-di(propan-2-yl)pyrrolidine?
The IUPAC name of (3S)-1,3-di(propan-2-yl)pyrrolidine (CID 58803039) is (3S)-1,3-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for (3S)-1,3-di(propan-2-yl)pyrrolidine?
The canonical SMILES for (3S)-1,3-di(propan-2-yl)pyrrolidine is CC(C)[C@@H]1CCN(C(C)C)C1.
What is the InChIKey of (3S)-1,3-di(propan-2-yl)pyrrolidine?
The InChIKey is MDBBCBCCJLRWJY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21N/c1-8(2)10-5-6-11(7-10)9(3)4/h8-10H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of (3S)-1,3-di(propan-2-yl)pyrrolidine?
(3S)-1,3-di(propan-2-yl)pyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58803039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).