1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol

C12H25NO2 — CID 103539229

IUPAC1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
SMILESCOC1CCN(CCC(O)C(C)(C)C)C1
InChIInChI=1S/C12H25NO2/c1-12(2,3)11(14)6-8-13-7-5-10(9-13)15-4/h10-11,14H,5-9H2,1-4H3
InChIKeyRBVBBTYXPOLEJV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.50
Rot. Bonds4

About 1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol

1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol (PubChem CID 103539229) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
PubChem CID103539229
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
SMILESCOC1CCN(CCC(O)C(C)(C)C)C1
InChIInChI=1S/C12H25NO2/c1-12(2,3)11(14)6-8-13-7-5-10(9-13)15-4/h10-11,14H,5-9H2,1-4H3
InChIKeyRBVBBTYXPOLEJV-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methoxymethyl)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 64581992
1-(3-methoxypiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 102966089
1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 63169311
1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623574
2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103537951
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 103532099
2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103534710
N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine
CID 166567478
3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
CID 103539225
1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623930
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 103540057
2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide
CID 103538003

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol (CID 103539229) is 1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol is COC1CCN(CCC(O)C(C)(C)C)C1.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol?
The InChIKey is RBVBBTYXPOLEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)11(14)6-8-13-7-5-10(9-13)15-4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol?
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol has a molecular weight of 215.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 103539229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).