1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine

C17H33NO2 — CID 79922477

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(CCC1CCOC2(CCOC2)C1)C(C)C
InChIInChI=1S/C17H33NO2/c1-4-9-18-16(14(2)3)6-5-15-7-10-20-17(12-15)8-11-19-13-17/h14-16,18H,4-13H2,1-3H3
InChIKeySMOIFCDCNUADJJ-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.38
Rot. Bonds7

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine (PubChem CID 79922477) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine
PubChem CID79922477
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(CCC1CCOC2(CCOC2)C1)C(C)C
InChIInChI=1S/C17H33NO2/c1-4-9-18-16(14(2)3)6-5-15-7-10-20-17(12-15)8-11-19-13-17/h14-16,18H,4-13H2,1-3H3
InChIKeySMOIFCDCNUADJJ-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine
CID 79924363
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine
CID 79923379
1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine
CID 79922713
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923010
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79907331
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105017232
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576
3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine
CID 105017087
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894869

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine (CID 79922477) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine is CCCNC(CCC1CCOC2(CCOC2)C1)C(C)C.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine?
The InChIKey is SMOIFCDCNUADJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-9-18-16(14(2)3)6-5-15-7-10-20-17(12-15)8-11-19-13-17/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine has a molecular weight of 283.46 g/mol, XLogP of 3.38, 7 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)-4-methyl-N-propylpentan-3-amine is sourced from PubChem (CID 79922477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).