2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine

C15H27NO2 — CID 103169144

IUPAC2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
SMILESNC(CC1CCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H27NO2/c16-14(10-12-2-1-3-12)13-4-7-18-15(11-13)5-8-17-9-6-15/h12-14H,1-11,16H2
InChIKeyRQSUINUVMVZDCL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.48
Rot. Bonds3

About 2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine

2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine (PubChem CID 103169144) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
PubChem CID103169144
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
SMILESNC(CC1CCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H27NO2/c16-14(10-12-2-1-3-12)13-4-7-18-15(11-13)5-8-17-9-6-15/h12-14H,1-11,16H2
InChIKeyRQSUINUVMVZDCL-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169143
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanamine
CID 79915218
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265992
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
CID 79911954
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097
(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 106702805
[cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105204290
1,9-dioxaspiro[5.5]undecan-4-yl-(3-methylcyclohexyl)methanamine
CID 79914941

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine?
The IUPAC name of 2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine (CID 103169144) is 2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine?
The canonical SMILES for 2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine is NC(CC1CCC1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine?
The InChIKey is RQSUINUVMVZDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c16-14(10-12-2-1-3-12)13-4-7-18-15(11-13)5-8-17-9-6-15/h12-14H,1-11,16H2.
What are the key properties of 2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine?
2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine is sourced from PubChem (CID 103169144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).