2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine

C14H22N2 — CID 61018845

IUPAC2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCC(C)C(C)N1CCc2c(N)cccc2C1
InChIInChI=1S/C14H22N2/c1-10(2)11(3)16-8-7-13-12(9-16)5-4-6-14(13)15/h4-6,10-11H,7-9,15H2,1-3H3
InChIKeyOPPCONMXFMBKNV-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.67
Rot. Bonds2

About 2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine

2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 61018845) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID61018845
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCC(C)C(C)N1CCc2c(N)cccc2C1
InChIInChI=1S/C14H22N2/c1-10(2)11(3)16-8-7-13-12(9-16)5-4-6-14(13)15/h4-6,10-11H,7-9,15H2,1-3H3
InChIKeyOPPCONMXFMBKNV-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43370011
2-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 54903843
2-[1-(5-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 54903806
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-propan-2-ylpropanamide
CID 61015189
2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017308
2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522186
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethylpropanamide
CID 61013701
2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 114832254
2-[1-(4-bromo-2-fluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 82959480
2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61019106
4-[1-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-fluorophenol
CID 107720739
2-(2-methoxy-1-phenylethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 103465020

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine (CID 61018845) is 2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine is CC(C)C(C)N1CCc2c(N)cccc2C1.
What is the InChIKey of 2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is OPPCONMXFMBKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10(2)11(3)16-8-7-13-12(9-16)5-4-6-14(13)15/h4-6,10-11H,7-9,15H2,1-3H3.
What are the key properties of 2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 218.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 61018845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).