[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol

C10H21NO — CID 42258964

IUPAC[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
SMILESCC(C)CCN1CC[C@H](CO)C1
InChIInChI=1S/C10H21NO/c1-9(2)3-5-11-6-4-10(7-11)8-12/h9-10,12H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyYPYYTSAUHMYGSO-JTQLQIEISA-N
MW171.28 g/mol
LogP1.35
Rot. Bonds4

About [(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol

[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol (PubChem CID 42258964) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
PubChem CID42258964
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
SMILESCC(C)CCN1CC[C@H](CO)C1
InChIInChI=1S/C10H21NO/c1-9(2)3-5-11-6-4-10(7-11)8-12/h9-10,12H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyYPYYTSAUHMYGSO-JTQLQIEISA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol
CID 117005906
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
1,1,1-trifluoro-3-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]propan-2-one
CID 59085041
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
[1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 53211509
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol
CID 83146581
[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol
CID 112628032
[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 64867957
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511
3-iodo-1-(3-methylbutyl)pyrrolidine
CID 126716401

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol (CID 42258964) is [(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol is CC(C)CCN1CC[C@H](CO)C1.
What is the InChIKey of [(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol?
The InChIKey is YPYYTSAUHMYGSO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)3-5-11-6-4-10(7-11)8-12/h9-10,12H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of [(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol?
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 42258964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).