1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol

C16H33NO2 — CID 103159908

IUPAC1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol
SMILESCCC(CC)N(CCOC)CC(O)CC1CCCC1
InChIInChI=1S/C16H33NO2/c1-4-15(5-2)17(10-11-19-3)13-16(18)12-14-8-6-7-9-14/h14-16,18H,4-13H2,1-3H3
InChIKeyURVDJPDDTUODLE-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.06
Rot. Bonds10

About 1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol

1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol (PubChem CID 103159908) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol
PubChem CID103159908
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol
SMILESCCC(CC)N(CCOC)CC(O)CC1CCCC1
InChIInChI=1S/C16H33NO2/c1-4-15(5-2)17(10-11-19-3)13-16(18)12-14-8-6-7-9-14/h14-16,18H,4-13H2,1-3H3
InChIKeyURVDJPDDTUODLE-UHFFFAOYSA-N
XLogP3.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol (CID 103159908) is 1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol is CCC(CC)N(CCOC)CC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol?
The InChIKey is URVDJPDDTUODLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-15(5-2)17(10-11-19-3)13-16(18)12-14-8-6-7-9-14/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol?
1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 103159908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).