2-methylpropanal;N,1,2-trimethylpiperidin-4-amine

C12H26N2O — CID 163258783

IUPAC2-methylpropanal;N,1,2-trimethylpiperidin-4-amine
SMILESCC(C)C=O.CNC1CCN(C)C(C)C1
InChIInChI=1S/C8H18N2.C4H8O/c1-7-6-8(9-2)4-5-10(7)3;1-4(2)3-5/h7-9H,4-6H2,1-3H3;3-4H,1-2H3
InChIKeyNCLKZFMARIJFNE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.53
Rot. Bonds2

About 2-methylpropanal;N,1,2-trimethylpiperidin-4-amine

2-methylpropanal;N,1,2-trimethylpiperidin-4-amine (PubChem CID 163258783) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methylpropanal;N,1,2-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name2-methylpropanal;N,1,2-trimethylpiperidin-4-amine
PubChem CID163258783
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methylpropanal;N,1,2-trimethylpiperidin-4-amine
SMILESCC(C)C=O.CNC1CCN(C)C(C)C1
InChIInChI=1S/C8H18N2.C4H8O/c1-7-6-8(9-2)4-5-10(7)3;1-4(2)3-5/h7-9H,4-6H2,1-3H3;3-4H,1-2H3
InChIKeyNCLKZFMARIJFNE-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylpropanal;N,1,2-trimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4S)-N,1,2-trimethylpiperidin-4-amine
CID 94244018
(2S,4R)-N,1,2-trimethylpiperidin-4-amine
CID 94244017
ethane;N,1,2-trimethylpiperidin-4-amine
CID 178011529
(1,2-dimethylpiperidin-4-yl)hydrazine
CID 55281806
N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine
CID 115719082
[(2S,4S)-1,2-dimethylpiperidin-4-yl]hydrazine;hydrochloride
CID 170897700
(2R)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906841
(2S)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906506
2-(1,2-dimethylpiperidin-4-yl)-1,1-dimethylhydrazine
CID 83005430
1,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine
CID 81343455
1,2-dimethyl-N-(4-methylcyclohexyl)piperidin-4-amine
CID 79032252
(2R)-2-amino-N-(1,2-dimethylpiperidin-4-yl)pentanamide
CID 103814653

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanal;N,1,2-trimethylpiperidin-4-amine?
The IUPAC name of 2-methylpropanal;N,1,2-trimethylpiperidin-4-amine (CID 163258783) is 2-methylpropanal;N,1,2-trimethylpiperidin-4-amine.
What is the SMILES notation for 2-methylpropanal;N,1,2-trimethylpiperidin-4-amine?
The canonical SMILES for 2-methylpropanal;N,1,2-trimethylpiperidin-4-amine is CC(C)C=O.CNC1CCN(C)C(C)C1.
What is the InChIKey of 2-methylpropanal;N,1,2-trimethylpiperidin-4-amine?
The InChIKey is NCLKZFMARIJFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C4H8O/c1-7-6-8(9-2)4-5-10(7)3;1-4(2)3-5/h7-9H,4-6H2,1-3H3;3-4H,1-2H3.
What are the key properties of 2-methylpropanal;N,1,2-trimethylpiperidin-4-amine?
2-methylpropanal;N,1,2-trimethylpiperidin-4-amine has a molecular weight of 214.35 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanal;N,1,2-trimethylpiperidin-4-amine is sourced from PubChem (CID 163258783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).