2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

C18H31NO — CID 102897191

IUPAC2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESC1=C(CCNCC2CCC3(CCCCC3)O2)CCCC1
InChIInChI=1S/C18H31NO/c1-3-7-16(8-4-1)10-14-19-15-17-9-13-18(20-17)11-5-2-6-12-18/h7,17,19H,1-6,8-15H2
InChIKeyCFRGBCRLWJSJAQ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.35
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (PubChem CID 102897191) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
PubChem CID102897191
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESC1=C(CCNCC2CCC3(CCCCC3)O2)CCCC1
InChIInChI=1S/C18H31NO/c1-3-7-16(8-4-1)10-14-19-15-17-9-13-18(20-17)11-5-2-6-12-18/h7,17,19H,1-6,8-15H2
InChIKeyCFRGBCRLWJSJAQ-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (CID 102897191) is 2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is C1=C(CCNCC2CCC3(CCCCC3)O2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The InChIKey is CFRGBCRLWJSJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-3-7-16(8-4-1)10-14-19-15-17-9-13-18(20-17)11-5-2-6-12-18/h7,17,19H,1-6,8-15H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102897191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).