2,4,4-trimethyl-1-propan-2-ylpyrrolidine

C10H21N — CID 45095972

IUPAC2,4,4-trimethyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(C)(C)CC1C
InChIInChI=1S/C10H21N/c1-8(2)11-7-10(4,5)6-9(11)3/h8-9H,6-7H2,1-5H3
InChIKeyVSJSKYFECGEDCJ-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds1

About 2,4,4-trimethyl-1-propan-2-ylpyrrolidine

2,4,4-trimethyl-1-propan-2-ylpyrrolidine (PubChem CID 45095972) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2,4,4-trimethyl-1-propan-2-ylpyrrolidine
PubChem CID45095972
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2,4,4-trimethyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(C)(C)CC1C
InChIInChI=1S/C10H21N/c1-8(2)11-7-10(4,5)6-9(11)3/h8-9H,6-7H2,1-5H3
InChIKeyVSJSKYFECGEDCJ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrolidine, 1-ethyl-2,2,5,5-tetramethyl-
CID 3048269
Pyrrolidine, 1-propyl-2,2,5,5-tetramethyl-
CID 3048270
1-(2-Methylpentyl)pyrrolidine
CID 54370492
(2S)-1-(2,2-dimethylpropyl)-2-(fluoromethyl)pyrrolidine
CID 135037336
1-Butyl-2-methylpyrrolidine
CID 10909668
1-(But-3-yn-1-yl)-2,4,4-trimethylpyrrolidine hydrochloride
CID 145913505
1-Methyl-2-(1-methylethyl)pyrrolidine
CID 264798
1,2,4,4-Tetramethylpyrrolidine
CID 12172228
(S)-1-Isobutyl-2-methylpyrrolidine
CID 45087897
N-(1-pentyl)-2-methylpyrrolidine
CID 54438045
(2R)-2-methyl-1-(2-methylpropyl)pyrrolidine
CID 117852146
N-(2-pentyl)-2-methylpyrrolidine
CID 126990106

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 2,4,4-trimethyl-1-propan-2-ylpyrrolidine (CID 45095972) is 2,4,4-trimethyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2,4,4-trimethyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2,4,4-trimethyl-1-propan-2-ylpyrrolidine is CC(C)N1CC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-1-propan-2-ylpyrrolidine?
The InChIKey is VSJSKYFECGEDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-8(2)11-7-10(4,5)6-9(11)3/h8-9H,6-7H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-1-propan-2-ylpyrrolidine?
2,4,4-trimethyl-1-propan-2-ylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 45095972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).