cyclopentane;ethane;methylcyclohexane;1-methylpiperidine

C32H79N — CID 167573510

IUPACcyclopentane;ethane;methylcyclohexane;1-methylpiperidine
SMILESC1CCCC1.CC.CC.CC.CC.CC.CC.CC.CC1CCCCC1.CN1CCCCC1
InChIInChI=1S/C7H14.C6H13N.C5H10.7C2H6/c2*1-7-5-3-2-4-6-7;1-2-4-5-3-1;7*1-2/h7H,2-6H2,1H3;2-6H2,1H3;1-5H2;7*1-2H3
InChIKeyGFKHEBDJLZZPHN-UHFFFAOYSA-N
MW477.99 g/mol
LogP12.82
Rot. Bonds

About cyclopentane;ethane;methylcyclohexane;1-methylpiperidine

cyclopentane;ethane;methylcyclohexane;1-methylpiperidine (PubChem CID 167573510) has the molecular formula C32H79N and a molecular weight of 477.99 g/mol. Its IUPAC name is cyclopentane;ethane;methylcyclohexane;1-methylpiperidine.

Molecular Properties

Compound Namecyclopentane;ethane;methylcyclohexane;1-methylpiperidine
PubChem CID167573510
Molecular FormulaC32H79N
Molecular Weight477.99 g/mol
Exact Mass477.62
IUPAC Namecyclopentane;ethane;methylcyclohexane;1-methylpiperidine
SMILESC1CCCC1.CC.CC.CC.CC.CC.CC.CC.CC1CCCCC1.CN1CCCCC1
InChIInChI=1S/C7H14.C6H13N.C5H10.7C2H6/c2*1-7-5-3-2-4-6-7;1-2-4-5-3-1;7*1-2/h7H,2-6H2,1H3;2-6H2,1H3;1-5H2;7*1-2H3
InChIKeyGFKHEBDJLZZPHN-UHFFFAOYSA-N
XLogP12.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.99
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;ethane;methylcyclohexane;1-methylpiperidine?
The IUPAC name of cyclopentane;ethane;methylcyclohexane;1-methylpiperidine (CID 167573510) is cyclopentane;ethane;methylcyclohexane;1-methylpiperidine.
What is the SMILES notation for cyclopentane;ethane;methylcyclohexane;1-methylpiperidine?
The canonical SMILES for cyclopentane;ethane;methylcyclohexane;1-methylpiperidine is C1CCCC1.CC.CC.CC.CC.CC.CC.CC.CC1CCCCC1.CN1CCCCC1.
What is the InChIKey of cyclopentane;ethane;methylcyclohexane;1-methylpiperidine?
The InChIKey is GFKHEBDJLZZPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H13N.C5H10.7C2H6/c2*1-7-5-3-2-4-6-7;1-2-4-5-3-1;7*1-2/h7H,2-6H2,1H3;2-6H2,1H3;1-5H2;7*1-2H3.
What are the key properties of cyclopentane;ethane;methylcyclohexane;1-methylpiperidine?
cyclopentane;ethane;methylcyclohexane;1-methylpiperidine has a molecular weight of 477.99 g/mol, XLogP of 12.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;ethane;methylcyclohexane;1-methylpiperidine is sourced from PubChem (CID 167573510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).