(2S)-1,2,3-trimethylpyrrolidine

C7H15N — CID 142283455

IUPAC(2S)-1,2,3-trimethylpyrrolidine
SMILESCC1CCN(C)[C@H]1C
InChIInChI=1S/C7H15N/c1-6-4-5-8(3)7(6)2/h6-7H,4-5H2,1-3H3/t6?,7-/m0/s1
InChIKeyWMDMBPSFBRCBNS-MLWJPKLSSA-N
MW113.20 g/mol
LogP1.35
Rot. Bonds

About (2S)-1,2,3-trimethylpyrrolidine

(2S)-1,2,3-trimethylpyrrolidine (PubChem CID 142283455) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (2S)-1,2,3-trimethylpyrrolidine.

Molecular Properties

Compound Name(2S)-1,2,3-trimethylpyrrolidine
PubChem CID142283455
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(2S)-1,2,3-trimethylpyrrolidine
SMILESCC1CCN(C)[C@H]1C
InChIInChI=1S/C7H15N/c1-6-4-5-8(3)7(6)2/h6-7H,4-5H2,1-3H3/t6?,7-/m0/s1
InChIKeyWMDMBPSFBRCBNS-MLWJPKLSSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-tetramethylpiperidine
CID 23146803
1,2,3-trimethylazocane
CID 58293714
1,2,3,4-tetramethylpiperazine
CID 66583347
(2S,3R)-3-fluoro-1,2-dimethylpyrrolidine
CID 167399019
azane;1,2-dimethylpyrrolidin-3-amine
CID 175027569
3-cyclopropyl-1,2-dimethylpyrrolidine
CID 178104321
(4R)-1,4,5-trimethylazepane
CID 89169089
2,3-dimethylpyrrolidin-1-amine
CID 121486314
1-hydroxy-2,3-dimethylpyrrolidine
CID 67660109
2-(bromomethyl)-1,3-dimethylpyrrolidine
CID 102785593
(1,3-dimethylpyrrolidin-2-yl)methanamine
CID 58841122
1,2-dimethylpyrrolidine-3-carbonitrile
CID 76609008

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2,3-trimethylpyrrolidine?
The IUPAC name of (2S)-1,2,3-trimethylpyrrolidine (CID 142283455) is (2S)-1,2,3-trimethylpyrrolidine.
What is the SMILES notation for (2S)-1,2,3-trimethylpyrrolidine?
The canonical SMILES for (2S)-1,2,3-trimethylpyrrolidine is CC1CCN(C)[C@H]1C.
What is the InChIKey of (2S)-1,2,3-trimethylpyrrolidine?
The InChIKey is WMDMBPSFBRCBNS-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H15N/c1-6-4-5-8(3)7(6)2/h6-7H,4-5H2,1-3H3/t6?,7-/m0/s1.
What are the key properties of (2S)-1,2,3-trimethylpyrrolidine?
(2S)-1,2,3-trimethylpyrrolidine has a molecular weight of 113.20 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2,3-trimethylpyrrolidine is sourced from PubChem (CID 142283455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).