2-tert-butyl-2-methylpyrrolidine;hydrochloride

C9H20ClN — CID 115015040

IUPAC2-tert-butyl-2-methylpyrrolidine;hydrochloride
SMILESCC(C)(C)C1(C)CCCN1.Cl
InChIInChI=1S/C9H19N.ClH/c1-8(2,3)9(4)6-5-7-10-9;/h10H,5-7H2,1-4H3;1H
InChIKeyHFEFBHZIEQWGTH-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.60
Rot. Bonds

About 2-tert-butyl-2-methylpyrrolidine;hydrochloride

2-tert-butyl-2-methylpyrrolidine;hydrochloride (PubChem CID 115015040) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 2-tert-butyl-2-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-tert-butyl-2-methylpyrrolidine;hydrochloride
PubChem CID115015040
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name2-tert-butyl-2-methylpyrrolidine;hydrochloride
SMILESCC(C)(C)C1(C)CCCN1.Cl
InChIInChI=1S/C9H19N.ClH/c1-8(2,3)9(4)6-5-7-10-9;/h10H,5-7H2,1-4H3;1H
InChIKeyHFEFBHZIEQWGTH-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-tert-butyl-2-methylpyrrolidine
CID 69164819
bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-methylpyrrolidin-2-yl]methanol
CID 138485362
3,3-difluoro-2,2-dimethylpiperidine;hydrochloride
CID 115017011
(2R)-2-methylpyrrolidin-2-ol
CID 146841570
2-methylpyrrolidin-2-amine
CID 22046316
2-(3,3-dimethylbutyl)-2-methylpyrrolidine
CID 66466219
2-methylpyrrolidine-2-carbaldehyde;hydrochloride
CID 175842534
1-methyl-2-azaspiro[5.5]undecan-1-ol
CID 140662959
2-tert-butyl-2-methylpiperidin-3-one;hydrochloride
CID 115024376
2-tert-butyl-2-(2-methylpropyl)pyrrolidine
CID 66468102
5-(2-tert-butylpyrrolidin-2-yl)pyrimidine
CID 66466514
2-methyl-N-[(2-methylpiperidin-2-yl)methyl]propan-2-amine
CID 104594815

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-methylpyrrolidine;hydrochloride?
The IUPAC name of 2-tert-butyl-2-methylpyrrolidine;hydrochloride (CID 115015040) is 2-tert-butyl-2-methylpyrrolidine;hydrochloride.
What is the SMILES notation for 2-tert-butyl-2-methylpyrrolidine;hydrochloride?
The canonical SMILES for 2-tert-butyl-2-methylpyrrolidine;hydrochloride is CC(C)(C)C1(C)CCCN1.Cl.
What is the InChIKey of 2-tert-butyl-2-methylpyrrolidine;hydrochloride?
The InChIKey is HFEFBHZIEQWGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-8(2,3)9(4)6-5-7-10-9;/h10H,5-7H2,1-4H3;1H.
What are the key properties of 2-tert-butyl-2-methylpyrrolidine;hydrochloride?
2-tert-butyl-2-methylpyrrolidine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 115015040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).