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

C18H42N4O — CID 166115065

IUPACN,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane
SMILESCC.CC.CN(C)C.CN1CCN(C)C2(CCN(C=O)CC2)C1
InChIInChI=1S/C11H21N3O.C3H9N.2C2H6/c1-12-7-8-13(2)11(9-12)3-5-14(10-15)6-4-11;1-4(2)3;2*1-2/h10H,3-9H2,1-2H3;1-3H3;2*1-2H3
InChIKeyPUYRLLVKXQNICM-UHFFFAOYSA-N
MW330.56 g/mol
LogP2.08
Rot. Bonds1

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

N,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane (PubChem CID 166115065) has the molecular formula C18H42N4O and a molecular weight of 330.56 g/mol. Its IUPAC name is N,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane.

Molecular Properties

Compound NameN,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane
PubChem CID166115065
Molecular FormulaC18H42N4O
Molecular Weight330.56 g/mol
Exact Mass330.34
IUPAC NameN,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane
SMILESCC.CC.CN(C)C.CN1CCN(C)C2(CCN(C=O)CC2)C1
InChIInChI=1S/C11H21N3O.C3H9N.2C2H6/c1-12-7-8-13(2)11(9-12)3-5-14(10-15)6-4-11;1-4(2)3;2*1-2/h10H,3-9H2,1-2H3;1-3H3;2*1-2H3
InChIKeyPUYRLLVKXQNICM-UHFFFAOYSA-N
XLogP2.08
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 52.08
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-(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
N-[6-[formyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]hexyl]-N-(1,2,2,3-tetramethylpiperidin-4-yl)formamide
CID 143193564
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
2-Methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde
CID 165116549
N-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde
CID 166106575
1-[4-[(1-Ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane
CID 166113663
N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 166115179
N,N,4-trimethyl-1-propyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115239
1-(2,2-difluoroethyl)-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
CID 166115349

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane?
The IUPAC name of N,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane (CID 166115065) is N,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane.
What is the SMILES notation for N,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane?
The canonical SMILES for N,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane is CC.CC.CN(C)C.CN1CCN(C)C2(CCN(C=O)CC2)C1.
What is the InChIKey of N,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane?
The InChIKey is PUYRLLVKXQNICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.C3H9N.2C2H6/c1-12-7-8-13(2)11(9-12)3-5-14(10-15)6-4-11;1-4(2)3;2*1-2/h10H,3-9H2,1-2H3;1-3H3;2*1-2H3.
What are the key properties of N,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane?
N,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane has a molecular weight of 330.56 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane is sourced from PubChem (CID 166115065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).