2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine

C14H30N2O2 — CID 66181206

IUPAC2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
SMILESCOC(CC(C)(CN)N1CCCC(C)(C)C1)OC
InChIInChI=1S/C14H30N2O2/c1-13(2)7-6-8-16(11-13)14(3,10-15)9-12(17-4)18-5/h12H,6-11,15H2,1-5H3
InChIKeyPHTWOEJIMPPPBV-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.83
Rot. Bonds6

About 2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine

2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine (PubChem CID 66181206) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
PubChem CID66181206
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
SMILESCOC(CC(C)(CN)N1CCCC(C)(C)C1)OC
InChIInChI=1S/C14H30N2O2/c1-13(2)7-6-8-16(11-13)14(3,10-15)9-12(17-4)18-5/h12H,6-11,15H2,1-5H3
InChIKeyPHTWOEJIMPPPBV-UHFFFAOYSA-N
XLogP1.83
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine
CID 107391081
2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66181007
1-tert-butyl-3,3-dimethylpiperidine
CID 14356856
2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
CID 114831451
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66179221
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66179040
3-(3,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid
CID 164650526
1-(2,2-dimethoxyethyl)-4,4-dimethylazepane
CID 66222358
2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66178255
4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
CID 66180815
2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 103494447
2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine
CID 107391280

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine (CID 66181206) is 2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The canonical SMILES for 2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine is COC(CC(C)(CN)N1CCCC(C)(C)C1)OC.
What is the InChIKey of 2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The InChIKey is PHTWOEJIMPPPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-13(2)7-6-8-16(11-13)14(3,10-15)9-12(17-4)18-5/h12H,6-11,15H2,1-5H3.
What are the key properties of 2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine is sourced from PubChem (CID 66181206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).