(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

Analyze (3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-3,4-dimethyl-3-propan-2-ylpyrrolidine
CID 135170137
(3R,4S)-3-ethyl-3,4-dimethylpyrrolidine
CID 130186897
4-methyl-3,4-di(propan-2-yl)piperidine
CID 79320143
methanamine;7-methyl-5-azaspiro[2.4]heptane
CID 142211160
(4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol
CID 134386945
2-methyl-2,6-di(propan-2-yl)morpholine
CID 114494649
3,5-dimethyl-3-(2-methylpropyl)piperidine
CID 130351584
3,4,5-trimethylpiperidin-4-ol;hydrochloride
CID 175817344
4-methyl-9-propan-2-yl-2-azaspiro[4.5]decan-6-ol
CID 165473147
3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane
CID 174319212
molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 144912446
4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine
CID 79321482

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).