(4S)-1,3,3,4-tetramethylpyrrolidine

C8H17N — CID 168820541

IUPAC(4S)-1,3,3,4-tetramethylpyrrolidine
SMILESC[C@@H]1CN(C)CC1(C)C
InChIInChI=1S/C8H17N/c1-7-5-9(4)6-8(7,2)3/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyURQHTJYBAOWVOO-SSDOTTSWSA-N
MW127.23 g/mol
LogP1.59
Rot. Bonds

About (4S)-1,3,3,4-tetramethylpyrrolidine

(4S)-1,3,3,4-tetramethylpyrrolidine (PubChem CID 168820541) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (4S)-1,3,3,4-tetramethylpyrrolidine.

Molecular Properties

Compound Name(4S)-1,3,3,4-tetramethylpyrrolidine
PubChem CID168820541
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(4S)-1,3,3,4-tetramethylpyrrolidine
SMILESC[C@@H]1CN(C)CC1(C)C
InChIInChI=1S/C8H17N/c1-7-5-9(4)6-8(7,2)3/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyURQHTJYBAOWVOO-SSDOTTSWSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,4,4,5-pentamethylpiperidine
CID 18740724
1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone
CID 130186895
1-[(4S)-3,3,4-trimethylpyrrolidin-1-yl]ethanone
CID 174295698
(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 147184250
1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 58944885
1,3,3,6-tetramethylazepane
CID 18711353
(3S,4R)-4-iodo-1,3,4-trimethylpiperidine
CID 131969702
1-(1,4,4-trimethylpyrrolidin-3-yl)propan-2-one
CID 130028083
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 143715131
1,3,3,5,5,7-hexamethylazocane
CID 70331342
1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane
CID 167503016

Frequently Asked Questions

What is the IUPAC name of (4S)-1,3,3,4-tetramethylpyrrolidine?
The IUPAC name of (4S)-1,3,3,4-tetramethylpyrrolidine (CID 168820541) is (4S)-1,3,3,4-tetramethylpyrrolidine.
What is the SMILES notation for (4S)-1,3,3,4-tetramethylpyrrolidine?
The canonical SMILES for (4S)-1,3,3,4-tetramethylpyrrolidine is C[C@@H]1CN(C)CC1(C)C.
What is the InChIKey of (4S)-1,3,3,4-tetramethylpyrrolidine?
The InChIKey is URQHTJYBAOWVOO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17N/c1-7-5-9(4)6-8(7,2)3/h7H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of (4S)-1,3,3,4-tetramethylpyrrolidine?
(4S)-1,3,3,4-tetramethylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,3,3,4-tetramethylpyrrolidine is sourced from PubChem (CID 168820541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).