6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]

C13H17N — CID 138553902

IUPAC6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
SMILESCCc1ccc2c(c1)CCNC21CC1
InChIInChI=1S/C13H17N/c1-2-10-3-4-12-11(9-10)5-8-14-13(12)6-7-13/h3-4,9,14H,2,5-8H2,1H3
InChIKeyUFHLBUGVZSOMTD-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.38
Rot. Bonds1

About 6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]

6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] (PubChem CID 138553902) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane].

Molecular Properties

Compound Name6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
PubChem CID138553902
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
SMILESCCc1ccc2c(c1)CCNC21CC1
InChIInChI=1S/C13H17N/c1-2-10-3-4-12-11(9-10)5-8-14-13(12)6-7-13/h3-4,9,14H,2,5-8H2,1H3
InChIKeyUFHLBUGVZSOMTD-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] with MolForge

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Related Compounds

6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one
CID 138536074
6-ethyl-3-methoxy-3-methyl-1,2-dihydroindene
CID 163564021
7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane]
CID 115025622
6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
CID 117273958
7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 139410237
spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
CID 91557907
8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 75366017
7-ethyl-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 82125519
6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 115012486
ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene
CID 169195757
4-ethyl-2-(1-hydroxycyclopropyl)phenol
CID 117277828
1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol
CID 82024150

Frequently Asked Questions

What is the IUPAC name of 6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]?
The IUPAC name of 6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] (CID 138553902) is 6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane].
What is the SMILES notation for 6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]?
The canonical SMILES for 6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] is CCc1ccc2c(c1)CCNC21CC1.
What is the InChIKey of 6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]?
The InChIKey is UFHLBUGVZSOMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-10-3-4-12-11(9-10)5-8-14-13(12)6-7-13/h3-4,9,14H,2,5-8H2,1H3.
What are the key properties of 6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]?
6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] has a molecular weight of 187.29 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] is sourced from PubChem (CID 138553902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).