N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde

C17H38N4O — CID 166115179

IUPACN,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
SMILESCC.CCN1CCN(C)CC12CCN(C=O)CC2.CN(C)C
InChIInChI=1S/C12H23N3O.C3H9N.C2H6/c1-3-15-9-8-13(2)10-12(15)4-6-14(11-16)7-5-12;1-4(2)3;1-2/h11H,3-10H2,1-2H3;1-3H3;1-2H3
InChIKeySZKXYSQORQJTKZ-UHFFFAOYSA-N
MW314.52 g/mol
LogP1.45
Rot. Bonds2

About N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde

N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde (PubChem CID 166115179) has the molecular formula C17H38N4O and a molecular weight of 314.52 g/mol. Its IUPAC name is N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde.

Molecular Properties

Compound NameN,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
PubChem CID166115179
Molecular FormulaC17H38N4O
Molecular Weight314.52 g/mol
Exact Mass314.30
IUPAC NameN,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
SMILESCC.CCN1CCN(C)CC12CCN(C=O)CC2.CN(C)C
InChIInChI=1S/C12H23N3O.C3H9N.C2H6/c1-3-15-9-8-13(2)10-12(15)4-6-14(11-16)7-5-12;1-4(2)3;1-2/h11H,3-10H2,1-2H3;1-3H3;1-2H3
InChIKeySZKXYSQORQJTKZ-UHFFFAOYSA-N
XLogP1.45
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
The IUPAC name of N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde (CID 166115179) is N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde.
What is the SMILES notation for N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
The canonical SMILES for N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde is CC.CCN1CCN(C)CC12CCN(C=O)CC2.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
The InChIKey is SZKXYSQORQJTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.C3H9N.C2H6/c1-3-15-9-8-13(2)10-12(15)4-6-14(11-16)7-5-12;1-4(2)3;1-2/h11H,3-10H2,1-2H3;1-3H3;1-2H3.
What are the key properties of N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde has a molecular weight of 314.52 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde is sourced from PubChem (CID 166115179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).