methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine

C36H78N4 — CID 157119616

IUPACmethane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESC.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1
InChIInChI=1S/3C9H19N.C8H17N.CH4/c3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;/h3*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;1H4
InChIKeyAHUVMBDITYGLJN-UHFFFAOYSA-N
MW567.05 g/mol
LogP8.76
Rot. Bonds8

About methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine

methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (PubChem CID 157119616) has the molecular formula C36H78N4 and a molecular weight of 567.05 g/mol. Its IUPAC name is methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Namemethane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
PubChem CID157119616
Molecular FormulaC36H78N4
Molecular Weight567.05 g/mol
Exact Mass566.62
IUPAC Namemethane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESC.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1
InChIInChI=1S/3C9H19N.C8H17N.CH4/c3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;/h3*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;1H4
InChIKeyAHUVMBDITYGLJN-UHFFFAOYSA-N
XLogP8.76
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.05
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Azabicyclo[2.2.2]octane;1-methylpyrrolidine
CID 70134138
1-Tert-butylazepane;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;ethane;methane
CID 157194330
1-Methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 157374634
Bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine
CID 157439064
1,4-Dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 157461988
Methane;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine)
CID 157557817
Methane;1-methylpiperazine;tetrakis(2-methylpropane);bis(piperidine);pyrrolidine
CID 157606136
N,N-dimethylmethanamine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 157619852
Tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157621754
butan-1-amine;butane;N,N-dimethylbutan-1-amine;N,N-dimethylpropan-1-amine;1-pentylpiperidine;bis(1-propylpiperidine);1-propylpyrrolidine
CID 157720868
1,4-Dimethylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 157877999
1,4-Dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 158178488

Frequently Asked Questions

What is the IUPAC name of methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The IUPAC name of methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (CID 157119616) is methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is C.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.
What is the InChIKey of methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The InChIKey is AHUVMBDITYGLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19N.C8H17N.CH4/c3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;/h3*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;1H4.
What are the key properties of methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine has a molecular weight of 567.05 g/mol, XLogP of 8.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 157119616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).