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

C44H65N3 — CID 171523041

IUPAC2-(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
SMILESCCN1CCc2ccc(C(C)C)cc2C1.CCc1ccc2c(c1)CN(CC1CCCC1)CC2.Cc1ccc2c(c1)CN(C(C)C)CC2
InChIInChI=1S/C17H25N.C14H21N.C13H19N/c1-2-14-7-8-16-9-10-18(13-17(16)11-14)12-15-5-3-4-6-15;1-4-15-8-7-12-5-6-13(11(2)3)9-14(12)10-15;1-10(2)14-7-6-12-5-4-11(3)8-13(12)9-14/h7-8,11,15H,2-6,9-10,12-13H2,1H3;5-6,9,11H,4,7-8,10H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3
InChIKeyXIYPRZDWVUXVPT-UHFFFAOYSA-N
MW636.03 g/mol
LogP9.75
Rot. Bonds6

About 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

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 (PubChem CID 171523041) has the molecular formula C44H65N3 and a molecular weight of 636.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID171523041
Molecular FormulaC44H65N3
Molecular Weight636.03 g/mol
Exact Mass635.52
IUPAC Name2-(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
SMILESCCN1CCc2ccc(C(C)C)cc2C1.CCc1ccc2c(c1)CN(CC1CCCC1)CC2.Cc1ccc2c(c1)CN(C(C)C)CC2
InChIInChI=1S/C17H25N.C14H21N.C13H19N/c1-2-14-7-8-16-9-10-18(13-17(16)11-14)12-15-5-3-4-6-15;1-4-15-8-7-12-5-6-13(11(2)3)9-14(12)10-15;1-10(2)14-7-6-12-5-4-11(3)8-13(12)9-14/h7-8,11,15H,2-6,9-10,12-13H2,1H3;5-6,9,11H,4,7-8,10H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3
InChIKeyXIYPRZDWVUXVPT-UHFFFAOYSA-N
XLogP9.75
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.03
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523042
7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 171523545
2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523681
7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 157149924
2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 171523168
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861
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
2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 138530633
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456931
7-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 138537394
7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 170099956

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCc2ccc(C(C)C)cc2C1.CCc1ccc2c(c1)CN(CC1CCCC1)CC2.Cc1ccc2c(c1)CN(C(C)C)CC2.
What is the InChIKey of 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?
The InChIKey is XIYPRZDWVUXVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N.C14H21N.C13H19N/c1-2-14-7-8-16-9-10-18(13-17(16)11-14)12-15-5-3-4-6-15;1-4-15-8-7-12-5-6-13(11(2)3)9-14(12)10-15;1-10(2)14-7-6-12-5-4-11(3)8-13(12)9-14/h7-8,11,15H,2-6,9-10,12-13H2,1H3;5-6,9,11H,4,7-8,10H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 636.03 g/mol, XLogP of 9.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171523041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).