bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine

C32H78N4 — CID 158654676

IUPACbis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine
SMILESC.C.C.CC(C)(C)C.CC(C)(C)C.CC(C)N1CCN(C)CC1.CN1CCCC1.CN1CCCCC1
InChIInChI=1S/C8H18N2.C6H13N.C5H11N.2C5H12.3CH4/c1-8(2)10-6-4-9(3)5-7-10;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;2*1-5(2,3)4;;;/h8H,4-7H2,1-3H3;2-6H2,1H3;2-5H2,1H3;2*1-4H3;3*1H4
InChIKeyIBZGURDJLKOJQJ-UHFFFAOYSA-N
MW519.00 g/mol
LogP8.47
Rot. Bonds1

About bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine

bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine (PubChem CID 158654676) has the molecular formula C32H78N4 and a molecular weight of 519.00 g/mol. Its IUPAC name is bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine.

Molecular Properties

Compound Namebis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine
PubChem CID158654676
Molecular FormulaC32H78N4
Molecular Weight519.00 g/mol
Exact Mass518.62
IUPAC Namebis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine
SMILESC.C.C.CC(C)(C)C.CC(C)(C)C.CC(C)N1CCN(C)CC1.CN1CCCC1.CN1CCCCC1
InChIInChI=1S/C8H18N2.C6H13N.C5H11N.2C5H12.3CH4/c1-8(2)10-6-4-9(3)5-7-10;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;2*1-5(2,3)4;;;/h8H,4-7H2,1-3H3;2-6H2,1H3;2-5H2,1H3;2*1-4H3;3*1H4
InChIKeyIBZGURDJLKOJQJ-UHFFFAOYSA-N
XLogP8.47
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.00
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine?
The IUPAC name of bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine (CID 158654676) is bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine.
What is the SMILES notation for bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine?
The canonical SMILES for bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine is C.C.C.CC(C)(C)C.CC(C)(C)C.CC(C)N1CCN(C)CC1.CN1CCCC1.CN1CCCCC1.
What is the InChIKey of bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine?
The InChIKey is IBZGURDJLKOJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C6H13N.C5H11N.2C5H12.3CH4/c1-8(2)10-6-4-9(3)5-7-10;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;2*1-5(2,3)4;;;/h8H,4-7H2,1-3H3;2-6H2,1H3;2-5H2,1H3;2*1-4H3;3*1H4.
What are the key properties of bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine?
bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine has a molecular weight of 519.00 g/mol, XLogP of 8.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine is sourced from PubChem (CID 158654676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).