1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine

C17H31NO3 — CID 103169143

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C17H31NO3/c1-2-20-15-9-13(10-15)11-16(18)14-3-6-21-17(12-14)4-7-19-8-5-17/h13-16H,2-12,18H2,1H3
InChIKeyHQMBCYDTFQZJFB-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.49
Rot. Bonds5

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine (PubChem CID 103169143) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine
PubChem CID103169143
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C17H31NO3/c1-2-20-15-9-13(10-15)11-16(18)14-3-6-21-17(12-14)4-7-19-8-5-17/h13-16H,2-12,18H2,1H3
InChIKeyHQMBCYDTFQZJFB-UHFFFAOYSA-N
XLogP2.49
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
CID 103169144
2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169207
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
CID 79911954
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
CID 105167577
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
[2-(3-ethoxycyclobutyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 103170531
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677
2-(3-ethoxycyclobutyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 103168628
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
CID 116713568
(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 106702805

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine (CID 103169143) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine is CCOC1CC(CC(N)C2CCOC3(CCOCC3)C2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The InChIKey is HQMBCYDTFQZJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-2-20-15-9-13(10-15)11-16(18)14-3-6-21-17(12-14)4-7-19-8-5-17/h13-16H,2-12,18H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine has a molecular weight of 297.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine is sourced from PubChem (CID 103169143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).