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

C15H32N4O — CID 166115367

IUPACN,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
SMILESCCN1CCN(C)CC12CCN(C=O)CC2.CN(C)C
InChIInChI=1S/C12H23N3O.C3H9N/c1-3-15-9-8-13(2)10-12(15)4-6-14(11-16)7-5-12;1-4(2)3/h11H,3-10H2,1-2H3;1-3H3
InChIKeyDXOFCXGXCDHWBX-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.42
Rot. Bonds2

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

N,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde (PubChem CID 166115367) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is N,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde.

Molecular Properties

Compound NameN,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
PubChem CID166115367
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC NameN,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
SMILESCCN1CCN(C)CC12CCN(C=O)CC2.CN(C)C
InChIInChI=1S/C12H23N3O.C3H9N/c1-3-15-9-8-13(2)10-12(15)4-6-14(11-16)7-5-12;1-4(2)3/h11H,3-10H2,1-2H3;1-3H3
InChIKeyDXOFCXGXCDHWBX-UHFFFAOYSA-N
XLogP0.42
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
CID 168983752
1-(2,2-Difluoroethyl)-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 166115350
4-(4-Methylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 87225878
4-(1-Methylpiperidin-4-yl)piperazine-1-carbaldehyde
CID 87291661
3-[(4-Methylpiperazin-1-yl)methyl]piperidine-1-carbaldehyde
CID 134173817
4-(4-Methylpiperidin-1-yl)piperidine-1-carbaldehyde
CID 137415416
4-(4-Ethylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 138683529
4-(4-Methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane
CID 144790307
4-[(1-Methylpiperidin-4-yl)methyl]piperazine-1-carbaldehyde
CID 145633216
4-[[4-(2-Methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde;propane
CID 156707614
N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
CID 156719712

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
The IUPAC name of N,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde (CID 166115367) is N,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde.
What is the SMILES notation for N,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
The canonical SMILES for N,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde is CCN1CCN(C)CC12CCN(C=O)CC2.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
The InChIKey is DXOFCXGXCDHWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.C3H9N/c1-3-15-9-8-13(2)10-12(15)4-6-14(11-16)7-5-12;1-4(2)3/h11H,3-10H2,1-2H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
N,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde has a molecular weight of 284.45 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde is sourced from PubChem (CID 166115367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).