2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine

C19H35NO — CID 105016179

IUPAC2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
SMILESCCNC(CC1CCCC1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C19H35NO/c1-2-20-18(14-16-8-4-5-9-16)17-10-13-21-19(15-17)11-6-3-7-12-19/h16-18,20H,2-15H2,1H3
InChIKeyDNBLNPAXJXLLRF-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.67
Rot. Bonds5

About 2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine

2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine (PubChem CID 105016179) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
PubChem CID105016179
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
SMILESCCNC(CC1CCCC1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C19H35NO/c1-2-20-18(14-16-8-4-5-9-16)17-10-13-21-19(15-17)11-6-3-7-12-19/h16-18,20H,2-15H2,1H3
InChIKeyDNBLNPAXJXLLRF-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
N-ethyl-2-ethylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911321
[2-cycloheptyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105322163
2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105169801
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105016797
2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105016192
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine
CID 79912014

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine (CID 105016179) is 2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine is CCNC(CC1CCCC1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The InChIKey is DNBLNPAXJXLLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-20-18(14-16-8-4-5-9-16)17-10-13-21-19(15-17)11-6-3-7-12-19/h16-18,20H,2-15H2,1H3.
What are the key properties of 2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine has a molecular weight of 293.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine is sourced from PubChem (CID 105016179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).