methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine

C60H130N6 — CID 159749342

IUPACmethane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.CC1CCC1.CC1CCC1.CC1CCCCC1.CC1CCCCC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.2C7H14.3C6H13N.C5H11N.2C5H10.C4H9N.2CH4/c1-8-6-4-2-3-5-7-8;5*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;3*1-5-3-2-4-5;;/h2-7H2,1H3;2*7H,2-6H2,1H3;3*2-6H2,1H3;2-5H2,1H3;2*5H,2-4H2,1H3;2-4H2,1H3;2*1H4
InChIKeyNDLMDNLIAKPODY-UHFFFAOYSA-N
MW935.74 g/mol
LogP15.89
Rot. Bonds

About methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine

methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 159749342) has the molecular formula C60H130N6 and a molecular weight of 935.74 g/mol. Its IUPAC name is methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine
PubChem CID159749342
Molecular FormulaC60H130N6
Molecular Weight935.74 g/mol
Exact Mass935.04
IUPAC Namemethane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.CC1CCC1.CC1CCC1.CC1CCCCC1.CC1CCCCC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.2C7H14.3C6H13N.C5H11N.2C5H10.C4H9N.2CH4/c1-8-6-4-2-3-5-7-8;5*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;3*1-5-3-2-4-5;;/h2-7H2,1H3;2*7H,2-6H2,1H3;3*2-6H2,1H3;2-5H2,1H3;2*5H,2-4H2,1H3;2-4H2,1H3;2*1H4
InChIKeyNDLMDNLIAKPODY-UHFFFAOYSA-N
XLogP15.89
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.74
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 158500859
cyclopentane;ethane;methylcyclohexane;1-methylpiperidine
CID 167573510
1,4-dimethyl-azacycloundecane
CID 89347639
methane;methylcyclobutane;methylcyclohexane;methylcyclopentane
CID 159112389
1,5,8,11-tetramethyl-1,5-diazacyclotridecane
CID 10610105
1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane
CID 161210516
1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine)
CID 160949305
methane;tris(1-methylpiperidine)
CID 162076357
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
methane;methylcyclohexane
CID 143705611
1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine
CID 161233752
ethane;methane;methylcyclohexane
CID 142966230

Frequently Asked Questions

What is the IUPAC name of methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine (CID 159749342) is methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine is C.C.CC1CCC1.CC1CCC1.CC1CCCCC1.CC1CCCCC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is NDLMDNLIAKPODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.2C7H14.3C6H13N.C5H11N.2C5H10.C4H9N.2CH4/c1-8-6-4-2-3-5-7-8;5*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;3*1-5-3-2-4-5;;/h2-7H2,1H3;2*7H,2-6H2,1H3;3*2-6H2,1H3;2-5H2,1H3;2*5H,2-4H2,1H3;2-4H2,1H3;2*1H4.
What are the key properties of methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine?
methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 935.74 g/mol, XLogP of 15.89, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 159749342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).