N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine

C18H33NO2 — CID 107190201

IUPACN-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(C1CCOC2(CCOC2)C1)C1CCCC1C
InChIInChI=1S/C18H33NO2/c1-3-9-19-17(16-6-4-5-14(16)2)15-7-10-21-18(12-15)8-11-20-13-18/h14-17,19H,3-13H2,1-2H3
InChIKeyBOPRYOKLGFGKCX-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.38
Rot. Bonds5

About N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine

N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 107190201) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine
PubChem CID107190201
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(C1CCOC2(CCOC2)C1)C1CCCC1C
InChIInChI=1S/C18H33NO2/c1-3-9-19-17(16-6-4-5-14(16)2)15-7-10-21-18(12-15)8-11-20-13-18/h14-17,19H,3-13H2,1-2H3
InChIKeyBOPRYOKLGFGKCX-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylcyclopropyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79911700
N-[1,4-dioxan-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 115824814
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923010
N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine
CID 116722752
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105017232
N-[(2-methylcyclopropyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79911525
N-[1,9-dioxaspiro[5.5]undecan-4-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80621542
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 79911261
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 79911605

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine (CID 107190201) is N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine is CCCNC(C1CCOC2(CCOC2)C1)C1CCCC1C.
What is the InChIKey of N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is BOPRYOKLGFGKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-3-9-19-17(16-6-4-5-14(16)2)15-7-10-21-18(12-15)8-11-20-13-18/h14-17,19H,3-13H2,1-2H3.
What are the key properties of N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine?
N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107190201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).