1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol

C13H28N2O2 — CID 55033366

IUPAC1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
SMILESCCN(CC)CC(O)CNC1CCCC1OC
InChIInChI=1S/C13H28N2O2/c1-4-15(5-2)10-11(16)9-14-12-7-6-8-13(12)17-3/h11-14,16H,4-10H2,1-3H3
InChIKeyYIXAVWZQDPUJPP-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds8

About 1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol

1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol (PubChem CID 55033366) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
PubChem CID55033366
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
SMILESCCN(CC)CC(O)CNC1CCCC1OC
InChIInChI=1S/C13H28N2O2/c1-4-15(5-2)10-11(16)9-14-12-7-6-8-13(12)17-3/h11-14,16H,4-10H2,1-3H3
InChIKeyYIXAVWZQDPUJPP-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-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 1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol (CID 55033366) is 1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol is CCN(CC)CC(O)CNC1CCCC1OC.
What is the InChIKey of 1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol?
The InChIKey is YIXAVWZQDPUJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-15(5-2)10-11(16)9-14-12-7-6-8-13(12)17-3/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol?
1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 55033366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).