1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

C14H28N4O — CID 167202030

IUPAC1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCCN1CCN(C)CC12CCN(C(=O)N(C)C)CC2
InChIInChI=1S/C14H28N4O/c1-5-18-11-10-16(4)12-14(18)6-8-17(9-7-14)13(19)15(2)3/h5-12H2,1-4H3
InChIKeyBCWPYOQMOPPYQD-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.77
Rot. Bonds1

About 1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (PubChem CID 167202030) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
PubChem CID167202030
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCCN1CCN(C)CC12CCN(C(=O)N(C)C)CC2
InChIInChI=1S/C14H28N4O/c1-5-18-11-10-16(4)12-14(18)6-8-17(9-7-14)13(19)15(2)3/h5-12H2,1-4H3
InChIKeyBCWPYOQMOPPYQD-UHFFFAOYSA-N
XLogP0.77
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (CID 167202030) is 1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is CCN1CCN(C)CC12CCN(C(=O)N(C)C)CC2.
What is the InChIKey of 1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is BCWPYOQMOPPYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-18-11-10-16(4)12-14(18)6-8-17(9-7-14)13(19)15(2)3/h5-12H2,1-4H3.
What are the key properties of 1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 167202030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).