N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine

C17H28N2O2 — CID 82937646

IUPACN,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCOCCN(CCOCC)c1cccc2c1CCNC2
InChIInChI=1S/C17H28N2O2/c1-3-20-12-10-19(11-13-21-4-2)17-7-5-6-15-14-18-9-8-16(15)17/h5-7,18H,3-4,8-14H2,1-2H3
InChIKeyYFPYFVVEQMPOOT-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.21
Rot. Bonds9

About N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine

N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 82937646) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID82937646
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCOCCN(CCOCC)c1cccc2c1CCNC2
InChIInChI=1S/C17H28N2O2/c1-3-20-12-10-19(11-13-21-4-2)17-7-5-6-15-14-18-9-8-16(15)17/h5-7,18H,3-4,8-14H2,1-2H3
InChIKeyYFPYFVVEQMPOOT-UHFFFAOYSA-N
XLogP2.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142429
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558808
N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81215567
N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214501
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214895
N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80505694
N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81215402
N-(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 43591485
3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine
CID 104557423
N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214502
2-propoxy-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
CID 116612571

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 82937646) is N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is CCOCCN(CCOCC)c1cccc2c1CCNC2.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is YFPYFVVEQMPOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-20-12-10-19(11-13-21-4-2)17-7-5-6-15-14-18-9-8-16(15)17/h5-7,18H,3-4,8-14H2,1-2H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 292.42 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 82937646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).