ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine

C75H168N4 — CID 160806044

IUPACethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine
SMILESC.CC.CC.CC.CC.CC.CC.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCC1CCCN(C)C1.CC(C)CCC1CCN(C)CC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1
InChIInChI=1S/2C11H23N.C11H22.C10H21N.C10H20.C9H19N.6C2H6.CH4/c1-10(2)4-5-11-6-8-12(3)9-7-11;1-10(2)6-7-11-5-4-8-12(3)9-11;1-10(2)8-9-11-6-4-3-5-7-11;1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)7-8-10-5-3-4-6-10;1-9(2)5-8-10-6-3-4-7-10;6*1-2;/h2*10-11H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;6*1-2H3;1H4
InChIKeySDRYUEUQSHDPPA-UHFFFAOYSA-N
MW1126.20 g/mol
LogP24.58
Rot. Bonds18

About ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine

ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine (PubChem CID 160806044) has the molecular formula C75H168N4 and a molecular weight of 1126.20 g/mol. Its IUPAC name is ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine.

Molecular Properties

Compound Nameethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine
PubChem CID160806044
Molecular FormulaC75H168N4
Molecular Weight1126.20 g/mol
Exact Mass1125.33
IUPAC Nameethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine
SMILESC.CC.CC.CC.CC.CC.CC.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCC1CCCN(C)C1.CC(C)CCC1CCN(C)CC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1
InChIInChI=1S/2C11H23N.C11H22.C10H21N.C10H20.C9H19N.6C2H6.CH4/c1-10(2)4-5-11-6-8-12(3)9-7-11;1-10(2)6-7-11-5-4-8-12(3)9-11;1-10(2)8-9-11-6-4-3-5-7-11;1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)7-8-10-5-3-4-6-10;1-9(2)5-8-10-6-3-4-7-10;6*1-2;/h2*10-11H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;6*1-2H3;1H4
InChIKeySDRYUEUQSHDPPA-UHFFFAOYSA-N
XLogP24.58
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.20
LogP ≤ 524.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine with MolForge

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Launch Full Analysis

Related Compounds

4-Butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine
CID 142193414
2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane
CID 146639931
3-Ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane
CID 157446269
Bis(3-methylbutylcyclohexane);3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;4-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine
CID 157718911
Ethane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane
CID 157797372
3,8-Dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylcyclohexane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine
CID 157963419
(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane
CID 158042044
2,3-Di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane
CID 158042045
Ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159619971
Tris(3-methylbutylcyclohexane);3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine
CID 160216183
Methane;tris(3-methylbutylcyclohexane);3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine
CID 160225787
1-Methyl-4-(3-methylbutyl)piperidine;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine
CID 160285569

Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine?
The IUPAC name of ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine (CID 160806044) is ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine.
What is the SMILES notation for ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine?
The canonical SMILES for ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine is C.CC.CC.CC.CC.CC.CC.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCC1CCCN(C)C1.CC(C)CCC1CCN(C)CC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.
What is the InChIKey of ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine?
The InChIKey is SDRYUEUQSHDPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N.C11H22.C10H21N.C10H20.C9H19N.6C2H6.CH4/c1-10(2)4-5-11-6-8-12(3)9-7-11;1-10(2)6-7-11-5-4-8-12(3)9-11;1-10(2)8-9-11-6-4-3-5-7-11;1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)7-8-10-5-3-4-6-10;1-9(2)5-8-10-6-3-4-7-10;6*1-2;/h2*10-11H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;6*1-2H3;1H4.
What are the key properties of ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine?
ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine has a molecular weight of 1126.20 g/mol, XLogP of 24.58, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine is sourced from PubChem (CID 160806044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).