1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol

C11H24N2O — CID 62941187

IUPAC1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol
SMILESCCCC(C)(CN)CN1CCC(O)C1
InChIInChI=1S/C11H24N2O/c1-3-5-11(2,8-12)9-13-6-4-10(14)7-13/h10,14H,3-9,12H2,1-2H3
InChIKeyJHHZAODTPHTWMU-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.82
Rot. Bonds5

About 1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol

1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol (PubChem CID 62941187) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol
PubChem CID62941187
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol
SMILESCCCC(C)(CN)CN1CCC(O)C1
InChIInChI=1S/C11H24N2O/c1-3-5-11(2,8-12)9-13-6-4-10(14)7-13/h10,14H,3-9,12H2,1-2H3
InChIKeyJHHZAODTPHTWMU-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
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-methylpentyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol (CID 62941187) is 1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol is CCCC(C)(CN)CN1CCC(O)C1.
What is the InChIKey of 1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol?
The InChIKey is JHHZAODTPHTWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-5-11(2,8-12)9-13-6-4-10(14)7-13/h10,14H,3-9,12H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol?
1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol has a molecular weight of 200.33 g/mol, XLogP of 0.82, 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-methylpentyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).