N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane

C18H36F2N2 — CID 176558034

IUPACN-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane
SMILESCC.CCN(C1CCC2(CC1)CN(CC(C)C)C2)C(C)(F)F
InChIInChI=1S/C16H30F2N2.C2H6/c1-5-20(15(4,17)18)14-6-8-16(9-7-14)11-19(12-16)10-13(2)3;1-2/h13-14H,5-12H2,1-4H3;1-2H3
InChIKeyPZIAAOOQWVPMNR-UHFFFAOYSA-N
MW318.50 g/mol
LogP4.85
Rot. Bonds5

About N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane

N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane (PubChem CID 176558034) has the molecular formula C18H36F2N2 and a molecular weight of 318.50 g/mol. Its IUPAC name is N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane.

Molecular Properties

Compound NameN-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane
PubChem CID176558034
Molecular FormulaC18H36F2N2
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC NameN-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane
SMILESCC.CCN(C1CCC2(CC1)CN(CC(C)C)C2)C(C)(F)F
InChIInChI=1S/C16H30F2N2.C2H6/c1-5-20(15(4,17)18)14-6-8-16(9-7-14)11-19(12-16)10-13(2)3;1-2/h13-14H,5-12H2,1-4H3;1-2H3
InChIKeyPZIAAOOQWVPMNR-UHFFFAOYSA-N
XLogP4.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane?
The IUPAC name of N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane (CID 176558034) is N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane.
What is the SMILES notation for N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane?
The canonical SMILES for N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane is CC.CCN(C1CCC2(CC1)CN(CC(C)C)C2)C(C)(F)F.
What is the InChIKey of N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane?
The InChIKey is PZIAAOOQWVPMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2.C2H6/c1-5-20(15(4,17)18)14-6-8-16(9-7-14)11-19(12-16)10-13(2)3;1-2/h13-14H,5-12H2,1-4H3;1-2H3.
What are the key properties of N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane?
N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane has a molecular weight of 318.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane is sourced from PubChem (CID 176558034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).