2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine

C16H29NO2 — CID 105017134

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine
SMILESCCC1(C(N)C2CCOC3(CCOC3)C2)CCCC1
InChIInChI=1S/C16H29NO2/c1-2-15(6-3-4-7-15)14(17)13-5-9-19-16(11-13)8-10-18-12-16/h13-14H,2-12,17H2,1H3
InChIKeyKBBILRXOWMOZCI-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.87
Rot. Bonds3

About 2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine

2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine (PubChem CID 105017134) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine
PubChem CID105017134
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine
SMILESCCC1(C(N)C2CCOC3(CCOC3)C2)CCCC1
InChIInChI=1S/C16H29NO2/c1-2-15(6-3-4-7-15)14(17)13-5-9-19-16(11-13)8-10-18-12-16/h13-14H,2-12,17H2,1H3
InChIKeyKBBILRXOWMOZCI-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79907256
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
CID 105017171
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764369
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine
CID 79911409
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethylbutyl]hydrazine
CID 105325531
N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830408
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
CID 103459636
2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine
CID 79910992
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanamine
CID 79915218

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine (CID 105017134) is 2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine is CCC1(C(N)C2CCOC3(CCOC3)C2)CCCC1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine?
The InChIKey is KBBILRXOWMOZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-15(6-3-4-7-15)14(17)13-5-9-19-16(11-13)8-10-18-12-16/h13-14H,2-12,17H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine?
2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine has a molecular weight of 267.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine is sourced from PubChem (CID 105017134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).