2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine

C18H31NO — CID 116661279

IUPAC2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H31NO/c19-17(13-15-7-3-1-4-8-15)16-9-12-20-18(14-16)10-5-2-6-11-18/h7,16-17H,1-6,8-14,19H2
InChIKeyJTXULCQMBUQSDY-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.33
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine

2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine (PubChem CID 116661279) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
PubChem CID116661279
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H31NO/c19-17(13-15-7-3-1-4-8-15)16-9-12-20-18(14-16)10-5-2-6-11-18/h7,16-17H,1-6,8-14,19H2
InChIKeyJTXULCQMBUQSDY-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
CID 79921850
2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908679
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
2-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79908148
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine
CID 79908712
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911507
N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 113291213
2-(4-bromophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912214
3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 113391352

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine (CID 116661279) is 2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine is NC(CC1=CCCCC1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The InChIKey is JTXULCQMBUQSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c19-17(13-15-7-3-1-4-8-15)16-9-12-20-18(14-16)10-5-2-6-11-18/h7,16-17H,1-6,8-14,19H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine is sourced from PubChem (CID 116661279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).