methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine

C90H187N5 — CID 160622142

IUPACmethane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine
SMILESC.CC(C)CCC1CCC(C)C1.CC(C)CCC1CCC(C)CC1.CC(C)CCC1CCCC(C)C1.CC(C)CCC1CCCN(C)C1.CC(C)CCC1CCN(C)CC1.CC(C)CCN1CCC(C)C1.CC(C)CCN1CCC(C)CC1.CC(C)CCN1CCCC(C)C1
InChIInChI=1S/2C12H24.4C11H23N.C11H22.C10H21N.CH4/c1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)7-8-12-6-4-5-11(3)9-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(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)6-8-12-7-4-5-11(3)9-12;2*1-9(2)4-6-11-7-5-10(3)8-11;/h2*10-12H,4-9H2,1-3H3;4*10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;1H4
InChIKeyRGVMQAPFJHSJIP-UHFFFAOYSA-N
MW1339.52 g/mol
LogP26.42
Rot. Bonds24

About methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine

methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine (PubChem CID 160622142) has the molecular formula C90H187N5 and a molecular weight of 1339.52 g/mol. Its IUPAC name is methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine.

Molecular Properties

Compound Namemethane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine
PubChem CID160622142
Molecular FormulaC90H187N5
Molecular Weight1339.52 g/mol
Exact Mass1338.48
IUPAC Namemethane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine
SMILESC.CC(C)CCC1CCC(C)C1.CC(C)CCC1CCC(C)CC1.CC(C)CCC1CCCC(C)C1.CC(C)CCC1CCCN(C)C1.CC(C)CCC1CCN(C)CC1.CC(C)CCN1CCC(C)C1.CC(C)CCN1CCC(C)CC1.CC(C)CCN1CCCC(C)C1
InChIInChI=1S/2C12H24.4C11H23N.C11H22.C10H21N.CH4/c1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)7-8-12-6-4-5-11(3)9-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(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)6-8-12-7-4-5-11(3)9-12;2*1-9(2)4-6-11-7-5-10(3)8-11;/h2*10-12H,4-9H2,1-3H3;4*10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;1H4
InChIKeyRGVMQAPFJHSJIP-UHFFFAOYSA-N
XLogP26.42
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001339.52
LogP ≤ 526.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

Methane;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-3-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine
CID 158911343
3,9-Dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane
CID 159107332
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
1-Ethyl-1-[[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]cyclohexyl]methyl]piperidin-1-ium;1-ethyl-1-[[4-[(1-ethylpyrrolidin-1-ium-1-yl)methyl]cyclohexyl]methyl]pyrrolidin-1-ium;1-methyl-1-[[4-[(1-methylpiperidin-1-ium-1-yl)methyl]cyclohexyl]methyl]piperidin-1-ium
CID 161164935

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine?
The IUPAC name of methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine (CID 160622142) is methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine.
What is the SMILES notation for methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine?
The canonical SMILES for methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine is C.CC(C)CCC1CCC(C)C1.CC(C)CCC1CCC(C)CC1.CC(C)CCC1CCCC(C)C1.CC(C)CCC1CCCN(C)C1.CC(C)CCC1CCN(C)CC1.CC(C)CCN1CCC(C)C1.CC(C)CCN1CCC(C)CC1.CC(C)CCN1CCCC(C)C1.
What is the InChIKey of methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine?
The InChIKey is RGVMQAPFJHSJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24.4C11H23N.C11H22.C10H21N.CH4/c1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)7-8-12-6-4-5-11(3)9-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(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)6-8-12-7-4-5-11(3)9-12;2*1-9(2)4-6-11-7-5-10(3)8-11;/h2*10-12H,4-9H2,1-3H3;4*10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;1H4.
What are the key properties of methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine?
methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine has a molecular weight of 1339.52 g/mol, XLogP of 26.42, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine is sourced from PubChem (CID 160622142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).