(3S)-3-methyl-3-propylpyrrolidine

C8H17N — CID 94411768

IUPAC(3S)-3-methyl-3-propylpyrrolidine
SMILESCCC[C@@]1(C)CCNC1
InChIInChI=1S/C8H17N/c1-3-4-8(2)5-6-9-7-8/h9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyREZXABLSYGVZHO-QMMMGPOBSA-N
MW127.23 g/mol
LogP1.79
Rot. Bonds2

About (3S)-3-methyl-3-propylpyrrolidine

(3S)-3-methyl-3-propylpyrrolidine (PubChem CID 94411768) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (3S)-3-methyl-3-propylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-methyl-3-propylpyrrolidine
PubChem CID94411768
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(3S)-3-methyl-3-propylpyrrolidine
SMILESCCC[C@@]1(C)CCNC1
InChIInChI=1S/C8H17N/c1-3-4-8(2)5-6-9-7-8/h9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyREZXABLSYGVZHO-QMMMGPOBSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-propylpyrrolidine
CID 22393542
(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
CID 171834249
N,N-dimethyl-2-(3-methylpyrrolidin-3-yl)ethanamine;ethane
CID 145166475
ethane;3-(fluoromethyl)-3-methylpyrrolidine
CID 178041858
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143016
2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine
CID 177172958
2,7-diazaspiro[3.4]octane;propane
CID 177136819
tert-butyl 3-(3-methylpyrrolidin-3-yl)propanoate
CID 157413904
2-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63143175
3,3-dimethylpyrrolidine;hydroiodide
CID 173023387
N-ethyl-3-methylpyrrolidin-3-amine
CID 107423762
methanamine;1-methyl-1-propylcyclohexane
CID 143166123

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3-propylpyrrolidine?
The IUPAC name of (3S)-3-methyl-3-propylpyrrolidine (CID 94411768) is (3S)-3-methyl-3-propylpyrrolidine.
What is the SMILES notation for (3S)-3-methyl-3-propylpyrrolidine?
The canonical SMILES for (3S)-3-methyl-3-propylpyrrolidine is CCC[C@@]1(C)CCNC1.
What is the InChIKey of (3S)-3-methyl-3-propylpyrrolidine?
The InChIKey is REZXABLSYGVZHO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17N/c1-3-4-8(2)5-6-9-7-8/h9H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-3-methyl-3-propylpyrrolidine?
(3S)-3-methyl-3-propylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-propylpyrrolidine is sourced from PubChem (CID 94411768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).