3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine

C13H27N — CID 146228066

IUPAC3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine
SMILESCC(C)(C)C(C1CCNC1)C(C)(C)C
InChIInChI=1S/C13H27N/c1-12(2,3)11(13(4,5)6)10-7-8-14-9-10/h10-11,14H,7-9H2,1-6H3
InChIKeyBSKFAVSTRYECLQ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.30
Rot. Bonds1

About 3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine

3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine (PubChem CID 146228066) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine.

Molecular Properties

Compound Name3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine
PubChem CID146228066
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine
SMILESCC(C)(C)C(C1CCNC1)C(C)(C)C
InChIInChI=1S/C13H27N/c1-12(2,3)11(13(4,5)6)10-7-8-14-9-10/h10-11,14H,7-9H2,1-6H3
InChIKeyBSKFAVSTRYECLQ-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid
CID 69238948
(3R)-3-(1-iodoethyl)pyrrolidine
CID 89293649
4-[(2R)-3,3-dimethylbutan-2-yl]piperidine
CID 146228118
4-pyrrolidin-3-ylpentan-1-ol
CID 67275378
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
2,2-dimethyl-1-piperidin-3-ylpropan-1-amine
CID 116935763
(1R)-N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 15223500
N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 70272075
(3S)-3-(1-cyclobutylethyl)pyrrolidine
CID 58803048
3-nonan-3-ylpyrrolidine
CID 146488434
3-(6,6,6-trifluorohexan-2-yl)pyrrolidine
CID 116536150
1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate
CID 174558406

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine?
The IUPAC name of 3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine (CID 146228066) is 3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine.
What is the SMILES notation for 3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine?
The canonical SMILES for 3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine is CC(C)(C)C(C1CCNC1)C(C)(C)C.
What is the InChIKey of 3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine?
The InChIKey is BSKFAVSTRYECLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2,3)11(13(4,5)6)10-7-8-14-9-10/h10-11,14H,7-9H2,1-6H3.
What are the key properties of 3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine?
3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine is sourced from PubChem (CID 146228066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).