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

C14H21N — CID 106780808

IUPAC4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCC(C)C1CC(C)Nc2ccccc21
InChIInChI=1S/C14H21N/c1-4-10(2)13-9-11(3)15-14-8-6-5-7-12(13)14/h5-8,10-11,13,15H,4,9H2,1-3H3
InChIKeyKXUXQPJWWBOIGB-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.02
Rot. Bonds2

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

4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 106780808) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID106780808
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCC(C)C1CC(C)Nc2ccccc21
InChIInChI=1S/C14H21N/c1-4-10(2)13-9-11(3)15-14-8-6-5-7-12(13)14/h5-8,10-11,13,15H,4,9H2,1-3H3
InChIKeyKXUXQPJWWBOIGB-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 123233367
(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 131014008
4-benzyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79234771
N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43274787
2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24691290
2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline
CID 106778499
4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275853
2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79234860
2-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 3724874
2-methyl-N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43269802
(2R,4S)-4-butoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 25242139
2-methyl-4-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275850

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline (CID 106780808) is 4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline is CCC(C)C1CC(C)Nc2ccccc21.
What is the InChIKey of 4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is KXUXQPJWWBOIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-10(2)13-9-11(3)15-14-8-6-5-7-12(13)14/h5-8,10-11,13,15H,4,9H2,1-3H3.
What are the key properties of 4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline?
4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 203.33 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106780808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).