2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine

C15H24N2 — CID 70184835

IUPAC2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCCCCCC1c2cc(N)ccc2CCN1C
InChIInChI=1S/C15H24N2/c1-3-4-5-6-15-14-11-13(16)8-7-12(14)9-10-17(15)2/h7-8,11,15H,3-6,9-10,16H2,1-2H3
InChIKeyRQGHRBRCAHNRNZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.38
Rot. Bonds4

About 2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine

2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 70184835) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID70184835
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCCCCCC1c2cc(N)ccc2CCN1C
InChIInChI=1S/C15H24N2/c1-3-4-5-6-15-14-11-13(16)8-7-12(14)9-10-17(15)2/h7-8,11,15H,3-6,9-10,16H2,1-2H3
InChIKeyRQGHRBRCAHNRNZ-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine (CID 70184835) is 2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine is CCCCCC1c2cc(N)ccc2CCN1C.
What is the InChIKey of 2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is RQGHRBRCAHNRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-4-5-6-15-14-11-13(16)8-7-12(14)9-10-17(15)2/h7-8,11,15H,3-6,9-10,16H2,1-2H3.
What are the key properties of 2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine?
2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 232.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pentyl-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 70184835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).