1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde

C12H23N3O — CID 166115180

IUPAC1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
SMILESCCN1CCN(C)CC12CCN(C=O)CC2
InChIInChI=1S/C12H23N3O/c1-3-15-9-8-13(2)10-12(15)4-6-14(11-16)7-5-12/h11H,3-10H2,1-2H3
InChIKeyDGTMOIDGLDAUSY-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.24
Rot. Bonds2

About 1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde

1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde (PubChem CID 166115180) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
PubChem CID166115180
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
SMILESCCN1CCN(C)CC12CCN(C=O)CC2
InChIInChI=1S/C12H23N3O/c1-3-15-9-8-13(2)10-12(15)4-6-14(11-16)7-5-12/h11H,3-10H2,1-2H3
InChIKeyDGTMOIDGLDAUSY-UHFFFAOYSA-N
XLogP0.24
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Piperazinecarboxaldehyde,4-(1-ethyl-4-piperidinyl)-(9CI)
CID 2846675
1-(2,2-Difluoroethyl)-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 166115350
1-(Cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 168983753
1-(N-formyl-1-methylaminomethylcyclohexyl) piperidine
CID 21409851
4-(2-Piperidin-1-ylethyl)piperazine-1-carbaldehyde
CID 82080873
4-(3-Piperidin-1-ylpropyl)piperazine-1-carbaldehyde
CID 82084391
4-(4-Methylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 87225878
4-(1-Methylpiperidin-4-yl)piperazine-1-carbaldehyde
CID 87291661
2-[(4-Methylpiperazin-1-yl)methyl]piperidine-1-carbaldehyde
CID 87628434
4-(1-Methylpiperidin-3-yl)piperazine-1-carbaldehyde
CID 91380261
N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]formamide
CID 118069129
4-(3-Methylpiperidin-1-yl)piperidine-1-carbaldehyde
CID 122652128

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
The IUPAC name of 1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde (CID 166115180) is 1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde.
What is the SMILES notation for 1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
The canonical SMILES for 1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde is CCN1CCN(C)CC12CCN(C=O)CC2.
What is the InChIKey of 1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
The InChIKey is DGTMOIDGLDAUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-15-9-8-13(2)10-12(15)4-6-14(11-16)7-5-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde has a molecular weight of 225.34 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde is sourced from PubChem (CID 166115180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).