2-pentyl-3,4-dihydro-1H-isoquinoline

C14H21N — CID 24138

IUPAC2-pentyl-3,4-dihydro-1H-isoquinoline
SMILESCCCCCN1CCc2ccccc2C1
InChIInChI=1S/C14H21N/c1-2-3-6-10-15-11-9-13-7-4-5-8-14(13)12-15/h4-5,7-8H,2-3,6,9-12H2,1H3
InChIKeyKNTSMNQVUFQHSW-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.23
Rot. Bonds4

About 2-pentyl-3,4-dihydro-1H-isoquinoline

2-pentyl-3,4-dihydro-1H-isoquinoline (PubChem CID 24138) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-pentyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-pentyl-3,4-dihydro-1H-isoquinoline
PubChem CID24138
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-pentyl-3,4-dihydro-1H-isoquinoline
SMILESCCCCCN1CCc2ccccc2C1
InChIInChI=1S/C14H21N/c1-2-3-6-10-15-11-9-13-7-4-5-8-14(13)12-15/h4-5,7-8H,2-3,6,9-12H2,1H3
InChIKeyKNTSMNQVUFQHSW-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
2-(2-decoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 133083999
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pentan-1-amine
CID 62573872
2-(6-chlorohexyl)-3,4-dihydro-1H-isoquinoline
CID 62227824
4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885
2-(6-methylheptyl)-3,4-dihydro-1H-isoquinoline
CID 59001097
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
5-(3,4-dihydro-1H-isoquinolin-2-yl)pentanenitrile
CID 60684058
2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy-hexadecyl-dimethylsilane
CID 139239094
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-hexylguanidine
CID 111057600
4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoyl chloride
CID 39255656

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-pentyl-3,4-dihydro-1H-isoquinoline (CID 24138) is 2-pentyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-pentyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-pentyl-3,4-dihydro-1H-isoquinoline is CCCCCN1CCc2ccccc2C1.
What is the InChIKey of 2-pentyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is KNTSMNQVUFQHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-6-10-15-11-9-13-7-4-5-8-14(13)12-15/h4-5,7-8H,2-3,6,9-12H2,1H3.
What are the key properties of 2-pentyl-3,4-dihydro-1H-isoquinoline?
2-pentyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 203.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 24138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).