[4-(methylamino)pyrrolidin-3-yl]methanol

C6H14N2O — CID 15070024

IUPAC[4-(methylamino)pyrrolidin-3-yl]methanol
SMILESCNC1CNCC1CO
InChIInChI=1S/C6H14N2O/c1-7-6-3-8-2-5(6)4-9/h5-9H,2-4H2,1H3
InChIKeyWXYKJIYEJCIDIX-UHFFFAOYSA-N
MW130.19 g/mol
LogP-1.21
Rot. Bonds2

About [4-(methylamino)pyrrolidin-3-yl]methanol

[4-(methylamino)pyrrolidin-3-yl]methanol (PubChem CID 15070024) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is [4-(methylamino)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(methylamino)pyrrolidin-3-yl]methanol
PubChem CID15070024
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name[4-(methylamino)pyrrolidin-3-yl]methanol
SMILESCNC1CNCC1CO
InChIInChI=1S/C6H14N2O/c1-7-6-3-8-2-5(6)4-9/h5-9H,2-4H2,1H3
InChIKeyWXYKJIYEJCIDIX-UHFFFAOYSA-N
XLogP-1.21
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)pyrrolidin-3-yl]methanol?
The IUPAC name of [4-(methylamino)pyrrolidin-3-yl]methanol (CID 15070024) is [4-(methylamino)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [4-(methylamino)pyrrolidin-3-yl]methanol?
The canonical SMILES for [4-(methylamino)pyrrolidin-3-yl]methanol is CNC1CNCC1CO.
What is the InChIKey of [4-(methylamino)pyrrolidin-3-yl]methanol?
The InChIKey is WXYKJIYEJCIDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-7-6-3-8-2-5(6)4-9/h5-9H,2-4H2,1H3.
What are the key properties of [4-(methylamino)pyrrolidin-3-yl]methanol?
[4-(methylamino)pyrrolidin-3-yl]methanol has a molecular weight of 130.19 g/mol, XLogP of -1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 15070024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).