8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline

C18H27N — CID 123731352

IUPAC8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline
SMILESCC/C=C\C1=C(C(C)CC)C2=NCCC=C2CC1C
InChIInChI=1S/C18H27N/c1-5-7-10-16-14(4)12-15-9-8-11-19-18(15)17(16)13(3)6-2/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3/b10-7-
InChIKeyXSEFFFJLGFVGFV-YFHOEESVSA-N
MW257.42 g/mol
LogP5.11
Rot. Bonds4

About 8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline

8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline (PubChem CID 123731352) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline.

Molecular Properties

Compound Name8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline
PubChem CID123731352
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline
SMILESCC/C=C\C1=C(C(C)CC)C2=NCCC=C2CC1C
InChIInChI=1S/C18H27N/c1-5-7-10-16-14(4)12-15-9-8-11-19-18(15)17(16)13(3)6-2/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3/b10-7-
InChIKeyXSEFFFJLGFVGFV-YFHOEESVSA-N
XLogP5.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,5-Dimethylcyclohex-3-en-1-yl)-7-fluoro-4a,5-dihydrobenzo[f]isoquinoline
CID 166812448
4-(3,5-Dimethylcyclohexa-1,3-dien-1-yl)-9-(trifluoromethyl)-6,6a-dihydrobenzo[f]isoquinoline
CID 166812482
3-But-2-enyl-6-fluoro-8,8,10,10-tetramethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,9(17),12,14-hexaene
CID 166881024
4-[(1E)-5,7-dimethylcycloocta-1,5,7-trien-1-yl]-7-fluoro-10a,10b-dihydrobenzo[f]isoquinoline
CID 173853047
(3aR,9aS,9bS)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 134983011
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
CID 143491216
(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 10965517
N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
CID 20827637
iridium;N,3,3-trimethyl-2,9-dihydrocyclopenta[a]naphthalen-9-id-1-imine
CID 57687955
methylcyclohexane;7-methyl-4H-quinolin-4-ide;yttrium
CID 57831671
2-Methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline
CID 70364652

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline?
The IUPAC name of 8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline (CID 123731352) is 8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline.
What is the SMILES notation for 8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline?
The canonical SMILES for 8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline is CC/C=C\C1=C(C(C)CC)C2=NCCC=C2CC1C.
What is the InChIKey of 8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline?
The InChIKey is XSEFFFJLGFVGFV-YFHOEESVSA-N. The full InChI is InChI=1S/C18H27N/c1-5-7-10-16-14(4)12-15-9-8-11-19-18(15)17(16)13(3)6-2/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3/b10-7-.
What are the key properties of 8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline?
8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline has a molecular weight of 257.42 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline is sourced from PubChem (CID 123731352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).