1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine

C14H27NO2 — CID 79922713

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine
SMILESCCCC(N)CCC1CCOC2(CCOC2)C1
InChIInChI=1S/C14H27NO2/c1-2-3-13(15)5-4-12-6-8-17-14(10-12)7-9-16-11-14/h12-13H,2-11,15H2,1H3
InChIKeyZHQJBUJFHVGLJX-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds5

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine (PubChem CID 79922713) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine
PubChem CID79922713
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine
SMILESCCCC(N)CCC1CCOC2(CCOC2)C1
InChIInChI=1S/C14H27NO2/c1-2-3-13(15)5-4-12-6-8-17-14(10-12)7-9-16-11-14/h12-13H,2-11,15H2,1H3
InChIKeyZHQJBUJFHVGLJX-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine
CID 79923379
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine
CID 79924363
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine
CID 79922477
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
CID 105017171
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol
CID 79923532
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 79924083
3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine
CID 105017087
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol
CID 79899722
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine
CID 79923117

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine (CID 79922713) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine is CCCC(N)CCC1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine?
The InChIKey is ZHQJBUJFHVGLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-13(15)5-4-12-6-8-17-14(10-12)7-9-16-11-14/h12-13H,2-11,15H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine has a molecular weight of 241.37 g/mol, XLogP of 2.48, 5 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)hexan-3-amine is sourced from PubChem (CID 79922713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).