ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane

C19H42N2O — CID 144515668

IUPACethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane
SMILESCC.CC.CC1CCC2(CC1)CN(C(N)=O)C2.CCC(C)C
InChIInChI=1S/C10H18N2O.C5H12.2C2H6/c1-8-2-4-10(5-3-8)6-12(7-10)9(11)13;1-4-5(2)3;2*1-2/h8H,2-7H2,1H3,(H2,11,13);5H,4H2,1-3H3;2*1-2H3
InChIKeyBJKDONGGXUUEQZ-UHFFFAOYSA-N
MW314.56 g/mol
LogP5.68
Rot. Bonds1

About ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane

ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane (PubChem CID 144515668) has the molecular formula C19H42N2O and a molecular weight of 314.56 g/mol. Its IUPAC name is ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane.

Molecular Properties

Compound Nameethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane
PubChem CID144515668
Molecular FormulaC19H42N2O
Molecular Weight314.56 g/mol
Exact Mass314.33
IUPAC Nameethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane
SMILESCC.CC.CC1CCC2(CC1)CN(C(N)=O)C2.CCC(C)C
InChIInChI=1S/C10H18N2O.C5H12.2C2H6/c1-8-2-4-10(5-3-8)6-12(7-10)9(11)13;1-4-5(2)3;2*1-2/h8H,2-7H2,1H3,(H2,11,13);5H,4H2,1-3H3;2*1-2H3
InChIKeyBJKDONGGXUUEQZ-UHFFFAOYSA-N
XLogP5.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane?
The IUPAC name of ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane (CID 144515668) is ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane.
What is the SMILES notation for ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane?
The canonical SMILES for ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane is CC.CC.CC1CCC2(CC1)CN(C(N)=O)C2.CCC(C)C.
What is the InChIKey of ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane?
The InChIKey is BJKDONGGXUUEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C5H12.2C2H6/c1-8-2-4-10(5-3-8)6-12(7-10)9(11)13;1-4-5(2)3;2*1-2/h8H,2-7H2,1H3,(H2,11,13);5H,4H2,1-3H3;2*1-2H3.
What are the key properties of ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane?
ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane has a molecular weight of 314.56 g/mol, XLogP of 5.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2-azaspiro[3.5]nonane-2-carboxamide;2-methylbutane is sourced from PubChem (CID 144515668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).