(3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine

C9H19N — CID 118444596

IUPAC(3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine
SMILESCC(C)[C@]1(C)CNC[C@H]1C
InChIInChI=1S/C9H19N/c1-7(2)9(4)6-10-5-8(9)3/h7-8,10H,5-6H2,1-4H3/t8-,9+/m1/s1
InChIKeyIHLDTXITVLLEAM-BDAKNGLRSA-N
MW141.26 g/mol
LogP1.89
Rot. Bonds1

About (3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine

(3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine (PubChem CID 118444596) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine
PubChem CID118444596
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine
SMILESCC(C)[C@]1(C)CNC[C@H]1C
InChIInChI=1S/C9H19N/c1-7(2)9(4)6-10-5-8(9)3/h7-8,10H,5-6H2,1-4H3/t8-,9+/m1/s1
InChIKeyIHLDTXITVLLEAM-BDAKNGLRSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine?
The IUPAC name of (3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine (CID 118444596) is (3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for (3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for (3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine is CC(C)[C@]1(C)CNC[C@H]1C.
What is the InChIKey of (3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine?
The InChIKey is IHLDTXITVLLEAM-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)9(4)6-10-5-8(9)3/h7-8,10H,5-6H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of (3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine?
(3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 118444596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).