1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol

C16H33NO3 — CID 103160166

IUPAC1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol
SMILESCCOCCN(CCOCC)CC(O)CC1CCCC1
InChIInChI=1S/C16H33NO3/c1-3-19-11-9-17(10-12-20-4-2)14-16(18)13-15-7-5-6-8-15/h15-16,18H,3-14H2,1-2H3
InChIKeyBRZYYEZKHOIZAL-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.30
Rot. Bonds12

About 1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol

1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol (PubChem CID 103160166) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol
PubChem CID103160166
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol
SMILESCCOCCN(CCOCC)CC(O)CC1CCCC1
InChIInChI=1S/C16H33NO3/c1-3-19-11-9-17(10-12-20-4-2)14-16(18)13-15-7-5-6-8-15/h15-16,18H,3-14H2,1-2H3
InChIKeyBRZYYEZKHOIZAL-UHFFFAOYSA-N
XLogP2.30
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol (CID 103160166) is 1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol is CCOCCN(CCOCC)CC(O)CC1CCCC1.
What is the InChIKey of 1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol?
The InChIKey is BRZYYEZKHOIZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-3-19-11-9-17(10-12-20-4-2)14-16(18)13-15-7-5-6-8-15/h15-16,18H,3-14H2,1-2H3.
What are the key properties of 1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol?
1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol has a molecular weight of 287.44 g/mol, XLogP of 2.30, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-ethoxyethyl)amino]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103160166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).