[1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol

C11H24N2O — CID 112629027

IUPAC[1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol
SMILESCCC(C)(CN)CN1CCC(CO)C1
InChIInChI=1S/C11H24N2O/c1-3-11(2,8-12)9-13-5-4-10(6-13)7-14/h10,14H,3-9,12H2,1-2H3
InChIKeyRIUSZBCKTONDJK-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.68
Rot. Bonds5

About [1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol

[1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol (PubChem CID 112629027) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is [1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol
PubChem CID112629027
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name[1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol
SMILESCCC(C)(CN)CN1CCC(CO)C1
InChIInChI=1S/C11H24N2O/c1-3-11(2,8-12)9-13-5-4-10(6-13)7-14/h10,14H,3-9,12H2,1-2H3
InChIKeyRIUSZBCKTONDJK-UHFFFAOYSA-N
XLogP0.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol (CID 112629027) is [1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol is CCC(C)(CN)CN1CCC(CO)C1.
What is the InChIKey of [1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol?
The InChIKey is RIUSZBCKTONDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-11(2,8-12)9-13-5-4-10(6-13)7-14/h10,14H,3-9,12H2,1-2H3.
What are the key properties of [1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol?
[1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol has a molecular weight of 200.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).