[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol

C10H21NO — CID 79028743

IUPAC[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol
SMILESCCC(C)CN1CCC[C@H]1CO
InChIInChI=1S/C10H21NO/c1-3-9(2)7-11-6-4-5-10(11)8-12/h9-10,12H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyBLGIAZFQRONUSN-AXDSSHIGSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds4

About [(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol

[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol (PubChem CID 79028743) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol
PubChem CID79028743
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol
SMILESCCC(C)CN1CCC[C@H]1CO
InChIInChI=1S/C10H21NO/c1-3-9(2)7-11-6-4-5-10(11)8-12/h9-10,12H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyBLGIAZFQRONUSN-AXDSSHIGSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol
CID 82929584
2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580562
2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579838
[(2S)-1-(2-methylidenebutyl)pyrrolidin-2-yl]methanol
CID 66261614
1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 176943757
2-methyl-N-[[1-(2-methylbutyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580952
[1-(2-ethylhexyl)piperidin-2-yl]methanol
CID 62021752
N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733673
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859
(1-ethylazepan-2-yl)methanol
CID 2849413
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol (CID 79028743) is [(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol is CCC(C)CN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol?
The InChIKey is BLGIAZFQRONUSN-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-9(2)7-11-6-4-5-10(11)8-12/h9-10,12H,3-8H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of [(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79028743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).