2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline

C17H25N — CID 171523042

IUPAC2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccc2c(c1)CN(CC1CCCC1)CC2
InChIInChI=1S/C17H25N/c1-2-14-7-8-16-9-10-18(13-17(16)11-14)12-15-5-3-4-6-15/h7-8,11,15H,2-6,9-10,12-13H2,1H3
InChIKeyPZJVRODZELOWNL-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.80
Rot. Bonds3

About 2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline

2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 171523042) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
PubChem CID171523042
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccc2c(c1)CN(CC1CCCC1)CC2
InChIInChI=1S/C17H25N/c1-2-14-7-8-16-9-10-18(13-17(16)11-14)12-15-5-3-4-6-15/h7-8,11,15H,2-6,9-10,12-13H2,1H3
InChIKeyPZJVRODZELOWNL-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861
2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 171523168
2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 138530633
7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 170099956
3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine
CID 176702451
ethane;7-ethyl-2-(3-fluoropropyl)-3,4-dihydro-1H-isoquinoline
CID 171523747
2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456802
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 168897972
2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 156705986
2-[3-(4-chlorophenyl)propyl]-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 110456814

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline (CID 171523042) is 2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline is CCc1ccc2c(c1)CN(CC1CCCC1)CC2.
What is the InChIKey of 2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is PZJVRODZELOWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-14-7-8-16-9-10-18(13-17(16)11-14)12-15-5-3-4-6-15/h7-8,11,15H,2-6,9-10,12-13H2,1H3.
What are the key properties of 2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline?
2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 243.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 171523042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).