N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine

C17H28N2 — CID 81214501

IUPACN-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCC(CC)CN(CC)c1cccc2c1CCNC2
InChIInChI=1S/C17H28N2/c1-4-14(5-2)13-19(6-3)17-9-7-8-15-12-18-11-10-16(15)17/h7-9,14,18H,4-6,10-13H2,1-3H3
InChIKeyNRJAUOZIWKZXHE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.59
Rot. Bonds6

About N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine

N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 81214501) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID81214501
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCC(CC)CN(CC)c1cccc2c1CCNC2
InChIInChI=1S/C17H28N2/c1-4-14(5-2)13-19(6-3)17-9-7-8-15-12-18-11-10-16(15)17/h7-9,14,18H,4-6,10-13H2,1-3H3
InChIKeyNRJAUOZIWKZXHE-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214895
N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81215567
N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82937646
N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81215402
N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80505694
N,N-diethyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 71344847
N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142429
3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine
CID 63076761
1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine
CID 60789812
N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214502
2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145042992
2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid
CID 104558460

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 81214501) is N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is CCC(CC)CN(CC)c1cccc2c1CCNC2.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is NRJAUOZIWKZXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-14(5-2)13-19(6-3)17-9-7-8-15-12-18-11-10-16(15)17/h7-9,14,18H,4-6,10-13H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 260.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 81214501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).