1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline

C15H21N — CID 142148353

IUPAC1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline
SMILESC=C(CC)C1c2ccccc2CCN1CC
InChIInChI=1S/C15H21N/c1-4-12(3)15-14-9-7-6-8-13(14)10-11-16(15)5-2/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyGDGSJCJYGCLWNN-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.57
Rot. Bonds3

About 1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline

1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 142148353) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline
PubChem CID142148353
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline
SMILESC=C(CC)C1c2ccccc2CCN1CC
InChIInChI=1S/C15H21N/c1-4-12(3)15-14-9-7-6-8-13(14)10-11-16(15)5-2/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyGDGSJCJYGCLWNN-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173135351
[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol
CID 139381518
ethyl 2-(2,2-difluoroethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 134337092
2-(2-ethylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 113473911
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
2-[(5-ethylfuran-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 65067182
(2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol
CID 95627839
2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 23333363
3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
CID 97317221
2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 69387751
N-tert-butyl-2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 126758666
2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53014905

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline (CID 142148353) is 1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline is C=C(CC)C1c2ccccc2CCN1CC.
What is the InChIKey of 1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is GDGSJCJYGCLWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-12(3)15-14-9-7-6-8-13(14)10-11-16(15)5-2/h6-9,15H,3-5,10-11H2,1-2H3.
What are the key properties of 1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline?
1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 215.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 142148353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).