1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane

C28H64N2O — CID 160567217

IUPAC1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane
SMILESC1CCOCC1.CC(C)C.CC(C)C.CC(C)C.CN1CCCC1.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H11N.C5H10O.3C4H10/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-2-4-6-5-3-1;3*1-4(2)3/h2-6H2,1H3;2-5H2,1H3;1-5H2;3*4H,1-3H3
InChIKeyRABRTCRUMXUNKA-UHFFFAOYSA-N
MW444.83 g/mol
LogP7.99
Rot. Bonds

About 1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane

1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane (PubChem CID 160567217) has the molecular formula C28H64N2O and a molecular weight of 444.83 g/mol. Its IUPAC name is 1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane.

Molecular Properties

Compound Name1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane
PubChem CID160567217
Molecular FormulaC28H64N2O
Molecular Weight444.83 g/mol
Exact Mass444.50
IUPAC Name1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane
SMILESC1CCOCC1.CC(C)C.CC(C)C.CC(C)C.CN1CCCC1.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H11N.C5H10O.3C4H10/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-2-4-6-5-3-1;3*1-4(2)3/h2-6H2,1H3;2-5H2,1H3;1-5H2;3*4H,1-3H3
InChIKeyRABRTCRUMXUNKA-UHFFFAOYSA-N
XLogP7.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.83
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane 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

6-methyl-1-oxa-6-azacycloundecane
CID 123668114
5-methyl-1-oxa-5-azacycloundecane
CID 123548674
bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine
CID 164988773
2-methylpropane;oxane
CID 91454058
1-methylpiperidine;4-propan-2-ylmorpholine
CID 176969911
ethane;2-methylpropane;oxane
CID 91157399
1-ethylpiperidine;1-methylpiperidine;oxane
CID 164954592
2-methylpropane;oxolane
CID 70603205
1,4-dimethylpiperazine;methanamine;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine
CID 158044460
1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158438628
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane?
The IUPAC name of 1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane (CID 160567217) is 1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane.
What is the SMILES notation for 1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane?
The canonical SMILES for 1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane is C1CCOCC1.CC(C)C.CC(C)C.CC(C)C.CN1CCCC1.CN1CCCCC1.
What is the InChIKey of 1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane?
The InChIKey is RABRTCRUMXUNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11N.C5H10O.3C4H10/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-2-4-6-5-3-1;3*1-4(2)3/h2-6H2,1H3;2-5H2,1H3;1-5H2;3*4H,1-3H3.
What are the key properties of 1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane?
1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane has a molecular weight of 444.83 g/mol, XLogP of 7.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane is sourced from PubChem (CID 160567217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).