[1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol

C12H26N2O — CID 64867752

IUPAC[1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol
SMILESCC(C)C(CN(C)C)N1CCC(CO)C1
InChIInChI=1S/C12H26N2O/c1-10(2)12(8-13(3)4)14-6-5-11(7-14)9-15/h10-12,15H,5-9H2,1-4H3
InChIKeyVGIOKXWQUPFXRY-UHFFFAOYSA-N
MW214.35 g/mol
LogP0.89
Rot. Bonds5

About [1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol

[1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol (PubChem CID 64867752) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol
PubChem CID64867752
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol
SMILESCC(C)C(CN(C)C)N1CCC(CO)C1
InChIInChI=1S/C12H26N2O/c1-10(2)12(8-13(3)4)14-6-5-11(7-14)9-15/h10-12,15H,5-9H2,1-4H3
InChIKeyVGIOKXWQUPFXRY-UHFFFAOYSA-N
XLogP0.89
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine
CID 62512117
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol
CID 123606610
tert-butyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112692616
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
[1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 105400777
2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 115492059
[1-(1-sulfanylethyl)piperidin-4-yl]methanol
CID 138616110
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 62370861
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol
CID 83146581
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid
CID 112626729

Frequently Asked Questions

What is the IUPAC name of [1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol (CID 64867752) is [1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol is CC(C)C(CN(C)C)N1CCC(CO)C1.
What is the InChIKey of [1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol?
The InChIKey is VGIOKXWQUPFXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)12(8-13(3)4)14-6-5-11(7-14)9-15/h10-12,15H,5-9H2,1-4H3.
What are the key properties of [1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol?
[1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol has a molecular weight of 214.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64867752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).