(3R)-3-tert-butyl-1-methylpyrrolidine

C9H19N — CID 58837566

IUPAC(3R)-3-tert-butyl-1-methylpyrrolidine
SMILESCN1CC[C@H](C(C)(C)C)C1
InChIInChI=1S/C9H19N/c1-9(2,3)8-5-6-10(4)7-8/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyCXSNDAQNFNUDHS-QMMMGPOBSA-N
MW141.26 g/mol
LogP1.98
Rot. Bonds

About (3R)-3-tert-butyl-1-methylpyrrolidine

(3R)-3-tert-butyl-1-methylpyrrolidine (PubChem CID 58837566) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (3R)-3-tert-butyl-1-methylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-tert-butyl-1-methylpyrrolidine
PubChem CID58837566
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(3R)-3-tert-butyl-1-methylpyrrolidine
SMILESCN1CC[C@H](C(C)(C)C)C1
InChIInChI=1S/C9H19N/c1-9(2,3)8-5-6-10(4)7-8/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyCXSNDAQNFNUDHS-QMMMGPOBSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-tert-butyl-1-methylpiperidine
CID 129190972
2-(1-methylpyrrolidin-3-yl)propane-2-thiol
CID 116866670
2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine
CID 156743098
ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 166075678
2-[(3R)-1-methylpyrrolidin-3-yl]propan-2-amine
CID 59033358
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499
ethane;1-methyl-3-(trifluoromethyl)pyrrolidine
CID 177172924
tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine
CID 162008931
O-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine
CID 117104630
(3R)-3-tert-butyl-1-iodopyrrolidine
CID 139520249
4-tert-butyl-1-(trideuteriomethyl)piperidine
CID 176754624
1-methyl-3-(5-methylnonan-5-yl)pyrrolidine
CID 170333732

Frequently Asked Questions

What is the IUPAC name of (3R)-3-tert-butyl-1-methylpyrrolidine?
The IUPAC name of (3R)-3-tert-butyl-1-methylpyrrolidine (CID 58837566) is (3R)-3-tert-butyl-1-methylpyrrolidine.
What is the SMILES notation for (3R)-3-tert-butyl-1-methylpyrrolidine?
The canonical SMILES for (3R)-3-tert-butyl-1-methylpyrrolidine is CN1CC[C@H](C(C)(C)C)C1.
What is the InChIKey of (3R)-3-tert-butyl-1-methylpyrrolidine?
The InChIKey is CXSNDAQNFNUDHS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N/c1-9(2,3)8-5-6-10(4)7-8/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of (3R)-3-tert-butyl-1-methylpyrrolidine?
(3R)-3-tert-butyl-1-methylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tert-butyl-1-methylpyrrolidine is sourced from PubChem (CID 58837566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).