N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C17H30N2O2 — CID 61230968

IUPACN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(CC1COC2(CCCC2)O1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H30N2O2/c1-2-19(15-9-13-5-6-14(10-15)18-13)11-16-12-20-17(21-16)7-3-4-8-17/h13-16,18H,2-12H2,1H3
InChIKeyDFJXTGVADVXDED-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.28
Rot. Bonds4

About N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61230968) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61230968
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(CC1COC2(CCCC2)O1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H30N2O2/c1-2-19(15-9-13-5-6-14(10-15)18-13)11-16-12-20-17(21-16)7-3-4-8-17/h13-16,18H,2-12H2,1H3
InChIKeyDFJXTGVADVXDED-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61230968) is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCN(CC1COC2(CCCC2)O1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is DFJXTGVADVXDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-19(15-9-13-5-6-14(10-15)18-13)11-16-12-20-17(21-16)7-3-4-8-17/h13-16,18H,2-12H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 294.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61230968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).