2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol

C13H27NO3 — CID 109394088

IUPAC2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCC(C)OCC(O)CN(C)CC1CCCC1O
InChIInChI=1S/C13H27NO3/c1-10(2)17-9-12(15)8-14(3)7-11-5-4-6-13(11)16/h10-13,15-16H,4-9H2,1-3H3
InChIKeyJGKDHTXGHSFJJH-UHFFFAOYSA-N
MW245.36 g/mol
LogP0.87
Rot. Bonds7

About 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol

2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 109394088) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID109394088
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCC(C)OCC(O)CN(C)CC1CCCC1O
InChIInChI=1S/C13H27NO3/c1-10(2)17-9-12(15)8-14(3)7-11-5-4-6-13(11)16/h10-13,15-16H,4-9H2,1-3H3
InChIKeyJGKDHTXGHSFJJH-UHFFFAOYSA-N
XLogP0.87
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol (CID 109394088) is 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol is CC(C)OCC(O)CN(C)CC1CCCC1O.
What is the InChIKey of 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is JGKDHTXGHSFJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-10(2)17-9-12(15)8-14(3)7-11-5-4-6-13(11)16/h10-13,15-16H,4-9H2,1-3H3.
What are the key properties of 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol?
2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 245.36 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109394088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).