7-butan-2-yl-1,2,3,4-tetrahydroquinoline

C13H19N — CID 91483435

IUPAC7-butan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCCC(C)c1ccc2c(c1)NCCC2
InChIInChI=1S/C13H19N/c1-3-10(2)12-7-6-11-5-4-8-14-13(11)9-12/h6-7,9-10,14H,3-5,8H2,1-2H3
InChIKeyJCZICTSRFBCGKD-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.56
Rot. Bonds2

About 7-butan-2-yl-1,2,3,4-tetrahydroquinoline

7-butan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 91483435) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 7-butan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-butan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID91483435
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name7-butan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCCC(C)c1ccc2c(c1)NCCC2
InChIInChI=1S/C13H19N/c1-3-10(2)12-7-6-11-5-4-8-14-13(11)9-12/h6-7,9-10,14H,3-5,8H2,1-2H3
InChIKeyJCZICTSRFBCGKD-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-butan-2-yl-1,2,3,4-tetrahydroquinoline (CID 91483435) is 7-butan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-butan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-butan-2-yl-1,2,3,4-tetrahydroquinoline is CCC(C)c1ccc2c(c1)NCCC2.
What is the InChIKey of 7-butan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is JCZICTSRFBCGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-10(2)12-7-6-11-5-4-8-14-13(11)9-12/h6-7,9-10,14H,3-5,8H2,1-2H3.
What are the key properties of 7-butan-2-yl-1,2,3,4-tetrahydroquinoline?
7-butan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 189.30 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 91483435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).