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

C14H28N2O — CID 117005906

IUPAC[1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol
SMILESCC(C)CCN1CCC(N2CCC(CO)C2)C1
InChIInChI=1S/C14H28N2O/c1-12(2)3-6-15-7-5-14(10-15)16-8-4-13(9-16)11-17/h12-14,17H,3-11H2,1-2H3
InChIKeyZUJGLUNDMSSEFE-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.42
Rot. Bonds5

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

[1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol (PubChem CID 117005906) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol
PubChem CID117005906
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol
SMILESCC(C)CCN1CCC(N2CCC(CO)C2)C1
InChIInChI=1S/C14H28N2O/c1-12(2)3-6-15-7-5-14(10-15)16-8-4-13(9-16)11-17/h12-14,17H,3-11H2,1-2H3
InChIKeyZUJGLUNDMSSEFE-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
[1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol
CID 117005885
[1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanol
CID 64866043
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188
1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid
CID 117005840
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511
[1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine
CID 117006031
4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one
CID 117005709
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol
CID 83835284
3-iodo-1-(3-methylbutyl)pyrrolidine
CID 126716401

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol (CID 117005906) is [1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol is CC(C)CCN1CCC(N2CCC(CO)C2)C1.
What is the InChIKey of [1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol?
The InChIKey is ZUJGLUNDMSSEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)3-6-15-7-5-14(10-15)16-8-4-13(9-16)11-17/h12-14,17H,3-11H2,1-2H3.
What are the key properties of [1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol?
[1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol has a molecular weight of 240.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117005906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).