ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane]

C13H21N — CID 142548989

IUPACethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane]
SMILESC1=NC2=C(CC1)CCC1(CC1)C2.CC
InChIInChI=1S/C11H15N.C2H6/c1-2-9-3-4-11(5-6-11)8-10(9)12-7-1;1-2/h7H,1-6,8H2;1-2H3
InChIKeyPBLVLGKWUXOBKE-UHFFFAOYSA-N
MW191.32 g/mol
LogP4.10
Rot. Bonds

About ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane]

ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane] (PubChem CID 142548989) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane].

Molecular Properties

Compound Nameethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane]
PubChem CID142548989
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane]
SMILESC1=NC2=C(CC1)CCC1(CC1)C2.CC
InChIInChI=1S/C11H15N.C2H6/c1-2-9-3-4-11(5-6-11)8-10(9)12-7-1;1-2/h7H,1-6,8H2;1-2H3
InChIKeyPBLVLGKWUXOBKE-UHFFFAOYSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane] with MolForge

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Related Compounds

3-Butyl-5,6-ditert-butyl-3,4-dihydropyridine
CID 59105252
4-Methyl-3,4,5,6,7,8-hexahydroquinoline
CID 89313200
(2Z)-4-methyl-2-(2-propylcyclohexylidene)-4,5-dihydro-3H-pyridine
CID 91043053
3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline
CID 123944889
1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine
CID 134463819
Ethane;3,4,5,6,7,8-hexahydroquinoline
CID 142548961
ethane;spiro[4,5,7,8-tetrahydro-3H-quinoline-6,1'-cyclopropane]
CID 142548996
ethane;N-(7-methylspiro[2.5]oct-6-en-6-yl)ethanimine
CID 142549075
8-Methyl-3,4,5,6,7,8-hexahydroquinoline
CID 143913712
3,4,4-trimethyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]azepine
CID 144327147
N-ethyl-1-(4-ethyl-1-bicyclo[3.1.0]hex-4-enyl)-N'-methylideneethane-1,2-diimine
CID 155063104
6-Methyl-3,4,5,6,7,8-hexahydroquinoline
CID 166901327

Frequently Asked Questions

What is the IUPAC name of ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane]?
The IUPAC name of ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane] (CID 142548989) is ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane].
What is the SMILES notation for ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane]?
The canonical SMILES for ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane] is C1=NC2=C(CC1)CCC1(CC1)C2.CC.
What is the InChIKey of ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane]?
The InChIKey is PBLVLGKWUXOBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-2-9-3-4-11(5-6-11)8-10(9)12-7-1;1-2/h7H,1-6,8H2;1-2H3.
What are the key properties of ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane]?
ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane] has a molecular weight of 191.32 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane] is sourced from PubChem (CID 142548989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).