4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine

C13H28N2O2 — CID 66165762

IUPAC4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine
SMILESCOC(CC(C)(CN)N1CCCCC1C)OC
InChIInChI=1S/C13H28N2O2/c1-11-7-5-6-8-15(11)13(2,10-14)9-12(16-3)17-4/h11-12H,5-10,14H2,1-4H3
InChIKeySYXSYIXNYVBGBR-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.59
Rot. Bonds6

About 4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine

4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine (PubChem CID 66165762) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine
PubChem CID66165762
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine
SMILESCOC(CC(C)(CN)N1CCCCC1C)OC
InChIInChI=1S/C13H28N2O2/c1-11-7-5-6-8-15(11)13(2,10-14)9-12(16-3)17-4/h11-12H,5-10,14H2,1-4H3
InChIKeySYXSYIXNYVBGBR-UHFFFAOYSA-N
XLogP1.59
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-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

4,4-Dimethoxy-2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 66180210
4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 61870306
4-Methoxy-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 61870513
1-(1-amino-4-methoxy-2-methylbutan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 61871136
2-(2-Ethylpiperidin-1-yl)-4-methoxy-2-methylbutan-1-amine
CID 61872769
2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine
CID 61872980
4-Methoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine
CID 61873173
4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62546048
2-(2,5-Dimethylpiperidin-1-yl)-4-methoxy-2-methylbutan-1-amine
CID 65665463
1-(1-amino-4-methoxy-2-methylbutan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 65957221
4,4-Dimethoxy-2-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 66165758
4,4-Dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 66165760

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine?
The IUPAC name of 4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine (CID 66165762) is 4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for 4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine is COC(CC(C)(CN)N1CCCCC1C)OC.
What is the InChIKey of 4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine?
The InChIKey is SYXSYIXNYVBGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11-7-5-6-8-15(11)13(2,10-14)9-12(16-3)17-4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine?
4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 66165762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).