1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol

C12H25NO — CID 102568692

IUPAC1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)CCN1CC(O)CC1C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)5-6-13-8-11(14)7-12(13)10(3)4/h9-12,14H,5-8H2,1-4H3
InChIKeyAUDUTGOQFAPQCB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.12
Rot. Bonds4

About 1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol

1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol (PubChem CID 102568692) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol
PubChem CID102568692
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)CCN1CC(O)CC1C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)5-6-13-8-11(14)7-12(13)10(3)4/h9-12,14H,5-8H2,1-4H3
InChIKeyAUDUTGOQFAPQCB-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 102568695
(3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol
CID 99134697
(4S)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carbonitrile
CID 166040812
(3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995622
1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol
CID 102568698
(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 130621127
(3S,5R)-1-butyl-5-(2-methylpropyl)pyrrolidin-3-ol
CID 124744564
(4-hydroxy-1-methylpyrrolidin-2-yl)methanediol
CID 21348453
(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995610
(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol
CID 99995289
4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 114351372
(2S)-1-butyl-2-propan-2-ylaziridine
CID 175612438

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of 1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol (CID 102568692) is 1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol is CC(C)CCN1CC(O)CC1C(C)C.
What is the InChIKey of 1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol?
The InChIKey is AUDUTGOQFAPQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)5-6-13-8-11(14)7-12(13)10(3)4/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol?
1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 102568692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).