N,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde

C12H28N2O — CID 142473425

IUPACN,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde
SMILESCC.CC1CCN(C=O)CC1.CN(C)C
InChIInChI=1S/C7H13NO.C3H9N.C2H6/c1-7-2-4-8(6-9)5-3-7;1-4(2)3;1-2/h6-7H,2-5H2,1H3;1-3H3;1-2H3
InChIKeyQTAOKVNCFJVMGU-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.08
Rot. Bonds1

About N,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde

N,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde (PubChem CID 142473425) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde.

Molecular Properties

Compound NameN,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde
PubChem CID142473425
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde
SMILESCC.CC1CCN(C=O)CC1.CN(C)C
InChIInChI=1S/C7H13NO.C3H9N.C2H6/c1-7-2-4-8(6-9)5-3-7;1-4(2)3;1-2/h6-7H,2-5H2,1H3;1-3H3;1-2H3
InChIKeyQTAOKVNCFJVMGU-UHFFFAOYSA-N
XLogP2.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylpiperidine-1-carbaldehyde
CID 102852
4-Fluoro-4-methylpiperidine-1-carbaldehyde
CID 129918325
N-Formyl-4-pipecoline
CID 11804772
methyl N-methyl-N-((1-methylpiperidin-4-yl)methyl)carbamate
CID 115611657
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]carbamoyl chloride hydrochloride
CID 165979215
3,5-Dimethylpiperidine-1-carbaldehyde
CID 21702755
N,N-diethyl-4-methylpiperidine-1-carboxamide
CID 3566453
4-Ethyl-3,3-difluoropiperidine-1-carbaldehyde
CID 88913127
4-(2-Fluoroethyl)piperidine-1-carbaldehyde
CID 143168932
Ethane;4-(trifluoromethyl)piperidine-1-carbaldehyde
CID 143573675
3,3-Difluoro-4-methylpiperidine-1-carbaldehyde;ethane
CID 144220541
3-Fluoro-4-methylpiperidine-1-carbaldehyde
CID 145286909

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde?
The IUPAC name of N,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde (CID 142473425) is N,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde.
What is the SMILES notation for N,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde?
The canonical SMILES for N,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde is CC.CC1CCN(C=O)CC1.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde?
The InChIKey is QTAOKVNCFJVMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C3H9N.C2H6/c1-7-2-4-8(6-9)5-3-7;1-4(2)3;1-2/h6-7H,2-5H2,1H3;1-3H3;1-2H3.
What are the key properties of N,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde?
N,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde has a molecular weight of 216.37 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;ethane;4-methylpiperidine-1-carbaldehyde is sourced from PubChem (CID 142473425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).