4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine

C17H28N2 — CID 55070080

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCN1CCc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-15(2)13-18-10-5-6-11-19-12-9-16-7-3-4-8-17(16)14-19/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3
InChIKeyTZRUYTYURGUNPI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds7

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 55070080) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID55070080
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCN1CCc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-15(2)13-18-10-5-6-11-19-12-9-16-7-3-4-8-17(16)14-19/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3
InChIKeyTZRUYTYURGUNPI-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62424621
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 55069879
2-(6-methylheptyl)-3,4-dihydro-1H-isoquinoline
CID 59001097
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pentan-1-amine
CID 62573872
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 114413207
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 62575146
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexylamino]ethyldisulfanyl]ethyl]hexan-1-amine;oxalic acid
CID 52947840
N-(2-methoxyethyl)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
CID 63153557

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine (CID 55070080) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCCCN1CCc2ccccc2C1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is TZRUYTYURGUNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15(2)13-18-10-5-6-11-19-12-9-16-7-3-4-8-17(16)14-19/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 55070080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).