N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine

C16H22N2 — CID 63939203

IUPACN-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cncc2ccccc12
InChIInChI=1S/C16H22N2/c1-4-18-16(9-12(2)3)15-11-17-10-13-7-5-6-8-14(13)15/h5-8,10-12,16,18H,4,9H2,1-3H3
InChIKeyXGTMMEZAIWSJJT-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.93
Rot. Bonds5

About N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine

N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine (PubChem CID 63939203) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
PubChem CID63939203
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cncc2ccccc12
InChIInChI=1S/C16H22N2/c1-4-18-16(9-12(2)3)15-11-17-10-13-7-5-6-8-14(13)15/h5-8,10-12,16,18H,4,9H2,1-3H3
InChIKeyXGTMMEZAIWSJJT-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine
CID 63939204
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
N-ethyl-1-isoquinolin-4-ylbut-3-en-1-amine
CID 116660847
1-isoquinolin-4-yl-4-methyl-N-propylpentan-1-amine
CID 63940553
N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine
CID 105147369
N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine
CID 63939788
N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 66272697
3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 55188123
N-ethyl-3-methyl-1-naphthalen-1-ylpentan-1-amine
CID 63416227
N-[(4-chlorophenyl)-isoquinolin-4-ylmethyl]ethanamine
CID 63941143
N-(2-butan-2-ylsulfanyl-1-isoquinolin-4-ylethyl)propan-1-amine
CID 65140966
4-(4-bromopentan-2-yl)isoquinoline
CID 64720588

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine (CID 63939203) is N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine is CCNC(CC(C)C)c1cncc2ccccc12.
What is the InChIKey of N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine?
The InChIKey is XGTMMEZAIWSJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-18-16(9-12(2)3)15-11-17-10-13-7-5-6-8-14(13)15/h5-8,10-12,16,18H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine?
N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine is sourced from PubChem (CID 63939203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).