ethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide

C19H45N3O — CID 144515772

IUPACethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCC.CC.CC.CC1CCC2(CC1)CN(C(=O)N(C)C)C2.CN
InChIInChI=1S/C12H22N2O.3C2H6.CH5N/c1-10-4-6-12(7-5-10)8-14(9-12)11(15)13(2)3;4*1-2/h10H,4-9H2,1-3H3;3*1-2H3;2H2,1H3
InChIKeyLEFZLNJYYLZYAL-UHFFFAOYSA-N
MW331.59 g/mol
LogP4.83
Rot. Bonds

About ethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide

ethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide (PubChem CID 144515772) has the molecular formula C19H45N3O and a molecular weight of 331.59 g/mol. Its IUPAC name is ethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Nameethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide
PubChem CID144515772
Molecular FormulaC19H45N3O
Molecular Weight331.59 g/mol
Exact Mass331.36
IUPAC Nameethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCC.CC.CC.CC1CCC2(CC1)CN(C(=O)N(C)C)C2.CN
InChIInChI=1S/C12H22N2O.3C2H6.CH5N/c1-10-4-6-12(7-5-10)8-14(9-12)11(15)13(2)3;4*1-2/h10H,4-9H2,1-3H3;3*1-2H3;2H2,1H3
InChIKeyLEFZLNJYYLZYAL-UHFFFAOYSA-N
XLogP4.83
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of ethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide (CID 144515772) is ethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for ethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for ethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide is CC.CC.CC.CC1CCC2(CC1)CN(C(=O)N(C)C)C2.CN.
What is the InChIKey of ethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide?
The InChIKey is LEFZLNJYYLZYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.3C2H6.CH5N/c1-10-4-6-12(7-5-10)8-14(9-12)11(15)13(2)3;4*1-2/h10H,4-9H2,1-3H3;3*1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide?
ethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide has a molecular weight of 331.59 g/mol, XLogP of 4.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;N,N,7-trimethyl-2-azaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 144515772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).