1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine

C16H31NO2 — CID 105017171

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H31NO2/c1-3-5-13(6-4-2)15(17)14-7-9-19-16(11-14)8-10-18-12-16/h13-15H,3-12,17H2,1-2H3
InChIKeyIDNVIIFULUTOFC-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.12
Rot. Bonds6

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine (PubChem CID 105017171) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
PubChem CID105017171
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H31NO2/c1-3-5-13(6-4-2)15(17)14-7-9-19-16(11-14)8-10-18-12-16/h13-15H,3-12,17H2,1-2H3
InChIKeyIDNVIIFULUTOFC-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethylbutyl]hydrazine
CID 105325531
2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine
CID 105017134
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
CID 103459636
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine
CID 79922713
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine
CID 79911409
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine (CID 105017171) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine is CCCC(CCC)C(N)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine?
The InChIKey is IDNVIIFULUTOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-5-13(6-4-2)15(17)14-7-9-19-16(11-14)8-10-18-12-16/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine is sourced from PubChem (CID 105017171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).