1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline

C17H29NO — CID 70584629

IUPAC1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline
SMILESCCCCN1C2=C(OC)C=CCC2C(C)CC1(C)C
InChIInChI=1S/C17H29NO/c1-6-7-11-18-16-14(9-8-10-15(16)19-5)13(2)12-17(18,3)4/h8,10,13-14H,6-7,9,11-12H2,1-5H3
InChIKeyHOXJTLYOQBLNMX-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.34
Rot. Bonds4

About 1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline

1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline (PubChem CID 70584629) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline.

Molecular Properties

Compound Name1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline
PubChem CID70584629
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline
SMILESCCCCN1C2=C(OC)C=CCC2C(C)CC1(C)C
InChIInChI=1S/C17H29NO/c1-6-7-11-18-16-14(9-8-10-15(16)19-5)13(2)12-17(18,3)4/h8,10,13-14H,6-7,9,11-12H2,1-5H3
InChIKeyHOXJTLYOQBLNMX-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline?
The IUPAC name of 1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline (CID 70584629) is 1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline.
What is the SMILES notation for 1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline?
The canonical SMILES for 1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline is CCCCN1C2=C(OC)C=CCC2C(C)CC1(C)C.
What is the InChIKey of 1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline?
The InChIKey is HOXJTLYOQBLNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-7-11-18-16-14(9-8-10-15(16)19-5)13(2)12-17(18,3)4/h8,10,13-14H,6-7,9,11-12H2,1-5H3.
What are the key properties of 1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline?
1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline has a molecular weight of 263.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline is sourced from PubChem (CID 70584629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).