(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol

C10H21NO — CID 117021966

IUPAC(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol
SMILESCC1C(CO)CCN1C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8-9(7-12)5-6-11(8)10(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyKWZQGQLNWFYMQN-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds1

About (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol

(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol (PubChem CID 117021966) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol
PubChem CID117021966
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol
SMILESCC1C(CO)CCN1C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8-9(7-12)5-6-11(8)10(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyKWZQGQLNWFYMQN-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol
CID 154309422
1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine
CID 138581018
(1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride
CID 142403583
[2-methyl-1-(trimethylsilylmethyl)pyrrolidin-3-yl]methanol
CID 131019315
(3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid
CID 66578004
[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol
CID 160603058
(1-tert-butylazepan-2-yl)methanol
CID 84660252
1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 164706292
(2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine
CID 170939669
[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol
CID 117021973
1-tert-butyl-2-methylaziridine
CID 15557486
(2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium)
CID 172518109

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol (CID 117021966) is (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol is CC1C(CO)CCN1C(C)(C)C.
What is the InChIKey of (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol?
The InChIKey is KWZQGQLNWFYMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-9(7-12)5-6-11(8)10(2,3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol?
(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 117021966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).