propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]

C17H27N — CID 123656510

IUPACpropane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
SMILESCCC.c1ccc2c(c1)CNCC21CCCCC1
InChIInChI=1S/C14H19N.C3H8/c1-4-8-14(9-5-1)11-15-10-12-6-2-3-7-13(12)14;1-3-2/h2-3,6-7,15H,1,4-5,8-11H2;3H2,1-2H3
InChIKeyZAVSHDSZZDOEMX-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.41
Rot. Bonds

About propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]

propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] (PubChem CID 123656510) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane].

Molecular Properties

Compound Namepropane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
PubChem CID123656510
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Namepropane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
SMILESCCC.c1ccc2c(c1)CNCC21CCCCC1
InChIInChI=1S/C14H19N.C3H8/c1-4-8-14(9-5-1)11-15-10-12-6-2-3-7-13(12)14;1-3-2/h2-3,6-7,15H,1,4-5,8-11H2;3H2,1-2H3
InChIKeyZAVSHDSZZDOEMX-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] with MolForge

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Related Compounds

(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 86311934
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 11242950
5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 82128708
ethane;spiro[1,2-dihydroindene-3,3'-azetidine]
CID 155704532
propane;spiro[1,2-dihydroindene-3,4'-piperidine]
CID 91126362
7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 139410237
2,3-dihydro-1H-isoindole;propane
CID 143664117
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]
CID 45073937
7-azaspiro[4.5]decane;8-azaspiro[4.5]decane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;2-azaspiro[5.5]undecane;3-azaspiro[5.5]undecane;propane;spiro[1,2-dihydroindene-3,4'-piperidine];bis(spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine])
CID 162091148
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
CID 71304013
2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 167309537

Frequently Asked Questions

What is the IUPAC name of propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
The IUPAC name of propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] (CID 123656510) is propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane].
What is the SMILES notation for propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
The canonical SMILES for propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] is CCC.c1ccc2c(c1)CNCC21CCCCC1.
What is the InChIKey of propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
The InChIKey is ZAVSHDSZZDOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C3H8/c1-4-8-14(9-5-1)11-15-10-12-6-2-3-7-13(12)14;1-3-2/h2-3,6-7,15H,1,4-5,8-11H2;3H2,1-2H3.
What are the key properties of propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] has a molecular weight of 245.41 g/mol, XLogP of 4.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] is sourced from PubChem (CID 123656510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).