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

C10H22N2O — CID 15107463

IUPAC[3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
SMILESCC(C)CN1CCC(CN)(CO)C1
InChIInChI=1S/C10H22N2O/c1-9(2)5-12-4-3-10(6-11,7-12)8-13/h9,13H,3-8,11H2,1-2H3
InChIKeyGGTOSDDJPXSKRD-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.29
Rot. Bonds4

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

[3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol (PubChem CID 15107463) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is [3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
PubChem CID15107463
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name[3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
SMILESCC(C)CN1CCC(CN)(CO)C1
InChIInChI=1S/C10H22N2O/c1-9(2)5-12-4-3-10(6-11,7-12)8-13/h9,13H,3-8,11H2,1-2H3
InChIKeyGGTOSDDJPXSKRD-UHFFFAOYSA-N
XLogP0.29
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol (CID 15107463) is [3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol is CC(C)CN1CCC(CN)(CO)C1.
What is the InChIKey of [3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol?
The InChIKey is GGTOSDDJPXSKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)5-12-4-3-10(6-11,7-12)8-13/h9,13H,3-8,11H2,1-2H3.
What are the key properties of [3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol?
[3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol has a molecular weight of 186.30 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 15107463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).