(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine

C10H21N — CID 131972870

IUPAC(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
SMILESCN1CC[C@H](CC(C)(C)C)C1
InChIInChI=1S/C10H21N/c1-10(2,3)7-9-5-6-11(4)8-9/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyITFRKUBTRMYQRK-SECBINFHSA-N
MW155.28 g/mol
LogP2.37
Rot. Bonds1

About (3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine

(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine (PubChem CID 131972870) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
PubChem CID131972870
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
SMILESCN1CC[C@H](CC(C)(C)C)C1
InChIInChI=1S/C10H21N/c1-10(2,3)7-9-5-6-11(4)8-9/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyITFRKUBTRMYQRK-SECBINFHSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

but-2-ynal;3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 145368660
3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten
CID 161326255
1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine
CID 58283754
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
2-methyl-1-(1-methylpiperidin-4-yl)propan-2-amine
CID 82598280
3-(3,3-dimethylpentyl)-1-methylpyrrolidine
CID 166971652
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
CID 70936687
3-(2,2-dimethylpropyl)piperidin-1-amine
CID 155330418
2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol
CID 59948989
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine?
The IUPAC name of (3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine (CID 131972870) is (3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine.
What is the SMILES notation for (3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine?
The canonical SMILES for (3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine is CN1CC[C@H](CC(C)(C)C)C1.
What is the InChIKey of (3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine?
The InChIKey is ITFRKUBTRMYQRK-SECBINFHSA-N. The full InChI is InChI=1S/C10H21N/c1-10(2,3)7-9-5-6-11(4)8-9/h9H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of (3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine?
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine is sourced from PubChem (CID 131972870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).