N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine

C18H28N2O — CID 79908948

IUPACN-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H28N2O/c1-2-20-17(13-15-5-10-19-11-6-15)16-7-12-21-18(14-16)8-3-4-9-18/h5-6,10-11,16-17,20H,2-4,7-9,12-14H2,1H3
InChIKeyHFZHAFAUBHPFMV-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.34
Rot. Bonds5

About N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine

N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine (PubChem CID 79908948) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine
PubChem CID79908948
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H28N2O/c1-2-20-17(13-15-5-10-19-11-6-15)16-7-12-21-18(14-16)8-3-4-9-18/h5-6,10-11,16-17,20H,2-4,7-9,12-14H2,1H3
InChIKeyHFZHAFAUBHPFMV-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine
CID 105170153
N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine
CID 79914388
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352
[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105212345
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
N-ethyl-2-ethylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911321
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine?
The IUPAC name of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine (CID 79908948) is N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine?
The canonical SMILES for N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine is CCNC(Cc1ccncc1)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine?
The InChIKey is HFZHAFAUBHPFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-20-17(13-15-5-10-19-11-6-15)16-7-12-21-18(14-16)8-3-4-9-18/h5-6,10-11,16-17,20H,2-4,7-9,12-14H2,1H3.
What are the key properties of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine?
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine has a molecular weight of 288.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 79908948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).