5-(aminomethyl)-1-methylpyrrolidin-3-ol

C6H14N2O — CID 22731064

IUPAC5-(aminomethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)CC1CN
InChIInChI=1S/C6H14N2O/c1-8-4-6(9)2-5(8)3-7/h5-6,9H,2-4,7H2,1H3
InChIKeyZPOXBKJTQMEVHK-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.99
Rot. Bonds1

About 5-(aminomethyl)-1-methylpyrrolidin-3-ol

5-(aminomethyl)-1-methylpyrrolidin-3-ol (PubChem CID 22731064) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-(aminomethyl)-1-methylpyrrolidin-3-ol
PubChem CID22731064
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name5-(aminomethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)CC1CN
InChIInChI=1S/C6H14N2O/c1-8-4-6(9)2-5(8)3-7/h5-6,9H,2-4,7H2,1H3
InChIKeyZPOXBKJTQMEVHK-UHFFFAOYSA-N
XLogP-0.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 5-(aminomethyl)-1-methylpyrrolidin-3-ol (CID 22731064) is 5-(aminomethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 5-(aminomethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 5-(aminomethyl)-1-methylpyrrolidin-3-ol is CN1CC(O)CC1CN.
What is the InChIKey of 5-(aminomethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is ZPOXBKJTQMEVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-8-4-6(9)2-5(8)3-7/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 5-(aminomethyl)-1-methylpyrrolidin-3-ol?
5-(aminomethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 130.19 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 22731064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).