7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline

C16H25N — CID 171523545

IUPAC7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCCC(C)c1ccc2c(c1)CN(C(C)C)CC2
InChIInChI=1S/C16H25N/c1-5-13(4)15-7-6-14-8-9-17(12(2)3)11-16(14)10-15/h6-7,10,12-13H,5,8-9,11H2,1-4H3
InChIKeyUEWIMFFJIPFOGI-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.97
Rot. Bonds3

About 7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline

7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 171523545) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID171523545
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCCC(C)c1ccc2c(c1)CN(C(C)C)CC2
InChIInChI=1S/C16H25N/c1-5-13(4)15-7-6-14-8-9-17(12(2)3)11-16(14)10-15/h6-7,10,12-13H,5,8-9,11H2,1-4H3
InChIKeyUEWIMFFJIPFOGI-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523681
2-propan-2-yl-3,4-dihydro-1H-isoquinoline-7-sulfinate
CID 22958586
7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 157149924
ethane;7-(3-piperidin-1-ylpropoxy)-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 142171690
2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 171523041
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82582032
7-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
CID 171523202
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
1-[7-(1-aminopropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one
CID 82175636
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456931
8-isocyano-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 168757373

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline (CID 171523545) is 7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline is CCC(C)c1ccc2c(c1)CN(C(C)C)CC2.
What is the InChIKey of 7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is UEWIMFFJIPFOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-13(4)15-7-6-14-8-9-17(12(2)3)11-16(14)10-15/h6-7,10,12-13H,5,8-9,11H2,1-4H3.
What are the key properties of 7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 231.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 171523545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).