(4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine

C15H24N2 — CID 70424924

IUPAC(4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine
SMILESCCCCCC1CNC(CN)c2ccccc21
InChIInChI=1S/C15H24N2/c1-2-3-4-7-12-11-17-15(10-16)14-9-6-5-8-13(12)14/h5-6,8-9,12,15,17H,2-4,7,10-11,16H2,1H3
InChIKeyBASQXWQXUQEZCS-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.95
Rot. Bonds5

About (4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine

(4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine (PubChem CID 70424924) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine
PubChem CID70424924
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine
SMILESCCCCCC1CNC(CN)c2ccccc21
InChIInChI=1S/C15H24N2/c1-2-3-4-7-12-11-17-15(10-16)14-9-6-5-8-13(12)14/h5-6,8-9,12,15,17H,2-4,7,10-11,16H2,1H3
InChIKeyBASQXWQXUQEZCS-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 64689178
(1R,4R)-1-hexyl-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 102127006
1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene
CID 71392483
7-methyl-3-nonyl-2,3-dihydro-1H-indole
CID 106986257
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline
CID 106778499
4-butyl-3,4-dihydro-2H-isoquinolin-1-one
CID 54043553
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
9-nonyl-9H-fluorene
CID 22568532
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
5-hexyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 132547359
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
CID 115568760

Frequently Asked Questions

What is the IUPAC name of (4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine?
The IUPAC name of (4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine (CID 70424924) is (4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine.
What is the SMILES notation for (4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine?
The canonical SMILES for (4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine is CCCCCC1CNC(CN)c2ccccc21.
What is the InChIKey of (4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine?
The InChIKey is BASQXWQXUQEZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-3-4-7-12-11-17-15(10-16)14-9-6-5-8-13(12)14/h5-6,8-9,12,15,17H,2-4,7,10-11,16H2,1H3.
What are the key properties of (4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine?
(4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine is sourced from PubChem (CID 70424924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).