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

C16H23N — CID 170099956

IUPAC7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccc(CC3CCCC3)cc2C1
InChIInChI=1S/C16H23N/c1-17-9-8-15-7-6-14(11-16(15)12-17)10-13-4-2-3-5-13/h6-7,11,13H,2-5,8-10,12H2,1H3
InChIKeyBTQUGZHQRHJBOA-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.41
Rot. Bonds2

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

7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 170099956) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID170099956
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccc(CC3CCCC3)cc2C1
InChIInChI=1S/C16H23N/c1-17-9-8-15-7-6-14(11-16(15)12-17)10-13-4-2-3-5-13/h6-7,11,13H,2-5,8-10,12H2,1H3
InChIKeyBTQUGZHQRHJBOA-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-(cyclopentylmethyl)-2-methyl-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

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 170099956) is 7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1CCc2ccc(CC3CCCC3)cc2C1.
What is the InChIKey of 7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is BTQUGZHQRHJBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-17-9-8-15-7-6-14(11-16(15)12-17)10-13-4-2-3-5-13/h6-7,11,13H,2-5,8-10,12H2,1H3.
What are the key properties of 7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 229.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 170099956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).