cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine

C67H148N2 — CID 158937421

IUPACcycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine
SMILESC1=CCCCC1.C1=NCCC1.C1=NCCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCCC1.C1CCCCC1.C1CCCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C7H14.2C6H12.C6H10.C5H9N.3C5H10.C4H7N.9C2H6/c1-2-4-6-7-5-3-1;4*1-2-4-6-5-3-1;4*1-2-4-5-3-1;9*1-2/h1-7H2;2*1-6H2;1-2H,3-6H2;4H,1-3,5H2;3*1-5H2;3H,1-2,4H2;9*1-2H3
InChIKeyJJVBHCOLNKAKGN-UHFFFAOYSA-N
MW981.93 g/mol
LogP26.71
Rot. Bonds

About cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine

cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine (PubChem CID 158937421) has the molecular formula C67H148N2 and a molecular weight of 981.93 g/mol. Its IUPAC name is cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Namecycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine
PubChem CID158937421
Molecular FormulaC67H148N2
Molecular Weight981.93 g/mol
Exact Mass981.16
IUPAC Namecycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine
SMILESC1=CCCCC1.C1=NCCC1.C1=NCCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCCC1.C1CCCCC1.C1CCCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C7H14.2C6H12.C6H10.C5H9N.3C5H10.C4H7N.9C2H6/c1-2-4-6-7-5-3-1;4*1-2-4-6-5-3-1;4*1-2-4-5-3-1;9*1-2/h1-7H2;2*1-6H2;1-2H,3-6H2;4H,1-3,5H2;3*1-5H2;3H,1-2,4H2;9*1-2H3
InChIKeyJJVBHCOLNKAKGN-UHFFFAOYSA-N
XLogP26.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.93
LogP ≤ 526.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 143814919
3,4-dihydro-2H-pyrrole;hydrate;hydrochloride
CID 140990774
cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane
CID 159907930
cyclopentadeca-1,7-diene
CID 154173092
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
(1E)-cyclooctadeca-1,8-diene
CID 173129359
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
cyclopentadecene
CID 5463009
(1Z,9E)-cyclooctadeca-1,9-diene
CID 143896650
(7Z)-cyclohexadeca-1,7-diene
CID 173129118

Frequently Asked Questions

What is the IUPAC name of cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine?
The IUPAC name of cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine (CID 158937421) is cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine.
What is the SMILES notation for cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine?
The canonical SMILES for cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine is C1=CCCCC1.C1=NCCC1.C1=NCCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCCC1.C1CCCCC1.C1CCCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine?
The InChIKey is JJVBHCOLNKAKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.2C6H12.C6H10.C5H9N.3C5H10.C4H7N.9C2H6/c1-2-4-6-7-5-3-1;4*1-2-4-6-5-3-1;4*1-2-4-5-3-1;9*1-2/h1-7H2;2*1-6H2;1-2H,3-6H2;4H,1-3,5H2;3*1-5H2;3H,1-2,4H2;9*1-2H3.
What are the key properties of cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine?
cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine has a molecular weight of 981.93 g/mol, XLogP of 26.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 158937421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).