1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine

C15H29NO3 — CID 105167577

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
SMILESCCOCCCC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO3/c1-2-17-8-3-4-14(16)13-5-9-19-15(12-13)6-10-18-11-7-15/h13-14H,2-12,16H2,1H3
InChIKeyRVGPYAAQYNVRMX-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.11
Rot. Bonds6

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine (PubChem CID 105167577) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
PubChem CID105167577
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
SMILESCCOCCCC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO3/c1-2-17-8-3-4-14(16)13-5-9-19-15(12-13)6-10-18-11-7-15/h13-14H,2-12,16H2,1H3
InChIKeyRVGPYAAQYNVRMX-UHFFFAOYSA-N
XLogP2.11
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
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
4-ethoxy-1-(oxan-4-yl)butan-1-amine
CID 105147258
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169143
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927776
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795
2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
CID 103169144
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine (CID 105167577) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine is CCOCCCC(N)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine?
The InChIKey is RVGPYAAQYNVRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-17-8-3-4-14(16)13-5-9-19-15(12-13)6-10-18-11-7-15/h13-14H,2-12,16H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 2.11, 6 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)-4-ethoxybutan-1-amine is sourced from PubChem (CID 105167577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).