(5-tert-butylpyrrolidin-2-yl)methanol

C9H19NO — CID 73079870

IUPAC(5-tert-butylpyrrolidin-2-yl)methanol
SMILESCC(C)(C)C1CCC(CO)N1
InChIInChI=1S/C9H19NO/c1-9(2,3)8-5-4-7(6-11)10-8/h7-8,10-11H,4-6H2,1-3H3
InChIKeyNCXCWWCVPVZMHT-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds1

About (5-tert-butylpyrrolidin-2-yl)methanol

(5-tert-butylpyrrolidin-2-yl)methanol (PubChem CID 73079870) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (5-tert-butylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(5-tert-butylpyrrolidin-2-yl)methanol
PubChem CID73079870
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(5-tert-butylpyrrolidin-2-yl)methanol
SMILESCC(C)(C)C1CCC(CO)N1
InChIInChI=1S/C9H19NO/c1-9(2,3)8-5-4-7(6-11)10-8/h7-8,10-11H,4-6H2,1-3H3
InChIKeyNCXCWWCVPVZMHT-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,5S)-5-butylpyrrolidin-2-yl]methanol
CID 131230214
[(2R,6R)-6-methylpiperidin-2-yl]methanol
CID 10820546
methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 70678997
2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol
CID 163118409
2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
CID 137457040
ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 117273935
(2S)-2-amino-2-[(5S)-5-tert-butylpyrrolidin-2-yl]acetic acid
CID 153456103
(2S)-7-tert-butylazepane-2-carboxylic acid
CID 130713727
[5-(anilinomethyl)pyrrolidin-2-yl]methanol
CID 91618895
2-[5-(2-hydroxyethyl)pyrrolidin-2-yl]ethanol
CID 123879549
[(2R,5R)-5-tert-butyloxolan-2-yl]methanol
CID 14506377
[(2R,5R)-5-(trifluoromethyl)pyrrolidin-2-yl]methanamine
CID 95396558

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylpyrrolidin-2-yl)methanol?
The IUPAC name of (5-tert-butylpyrrolidin-2-yl)methanol (CID 73079870) is (5-tert-butylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (5-tert-butylpyrrolidin-2-yl)methanol?
The canonical SMILES for (5-tert-butylpyrrolidin-2-yl)methanol is CC(C)(C)C1CCC(CO)N1.
What is the InChIKey of (5-tert-butylpyrrolidin-2-yl)methanol?
The InChIKey is NCXCWWCVPVZMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)8-5-4-7(6-11)10-8/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of (5-tert-butylpyrrolidin-2-yl)methanol?
(5-tert-butylpyrrolidin-2-yl)methanol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 73079870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).