2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol

C15H27NO3 — CID 62015459

IUPAC2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol
SMILESOCCN(CC1COC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C15H27NO3/c17-10-9-16(13-5-1-2-6-13)11-14-12-18-15(19-14)7-3-4-8-15/h13-14,17H,1-12H2
InChIKeyRBDILIDLHKCLJN-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.91
Rot. Bonds5

About 2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol

2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol (PubChem CID 62015459) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol
PubChem CID62015459
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol
SMILESOCCN(CC1COC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C15H27NO3/c17-10-9-16(13-5-1-2-6-13)11-14-12-18-15(19-14)7-3-4-8-15/h13-14,17H,1-12H2
InChIKeyRBDILIDLHKCLJN-UHFFFAOYSA-N
XLogP1.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine
CID 14990334
2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848057
2-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-2-yl]ethanol
CID 62021772
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230968
2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
CID 113476285
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 79716616
2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
CID 84598754
2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol
CID 102676607
2-[cyclohexyl-[(4-methylmorpholin-2-yl)methyl]amino]ethanol
CID 112734144

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol?
The IUPAC name of 2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol (CID 62015459) is 2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol is OCCN(CC1COC2(CCCC2)O1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol?
The InChIKey is RBDILIDLHKCLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-10-9-16(13-5-1-2-6-13)11-14-12-18-15(19-14)7-3-4-8-15/h13-14,17H,1-12H2.
What are the key properties of 2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol?
2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol has a molecular weight of 269.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 62015459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).