N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine

C16H23N3 — CID 106776820

IUPACN-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine
SMILESCCNCc1cnc(NC(C)(C)C)c2ccccc12
InChIInChI=1S/C16H23N3/c1-5-17-10-12-11-18-15(19-16(2,3)4)14-9-7-6-8-13(12)14/h6-9,11,17H,5,10H2,1-4H3,(H,18,19)
InChIKeyHATHPBNNTSBGEV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.55
Rot. Bonds4

About N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine

N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine (PubChem CID 106776820) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine
PubChem CID106776820
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine
SMILESCCNCc1cnc(NC(C)(C)C)c2ccccc12
InChIInChI=1S/C16H23N3/c1-5-17-10-12-11-18-15(19-16(2,3)4)14-9-7-6-8-13(12)14/h6-9,11,17H,5,10H2,1-4H3,(H,18,19)
InChIKeyHATHPBNNTSBGEV-UHFFFAOYSA-N
XLogP3.55
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine
CID 106777404
N-[[1-(1-oxo-1,4-thiazinan-4-yl)isoquinolin-4-yl]methyl]ethanamine
CID 106775599
N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine
CID 106777370
N-[[1-(2-azabicyclo[2.2.1]heptan-2-yl)isoquinolin-4-yl]methyl]ethanamine
CID 106775701
N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106774846
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
N-tert-butylisoquinolin-1-amine;hydrate
CID 51057763
N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine
CID 114216522
4-(ethylaminomethyl)-N-propyl-N-prop-2-ynylisoquinolin-1-amine
CID 106776565
N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine
CID 106777093
4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine
CID 106776781
4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine
CID 106774928

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine?
The IUPAC name of N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine (CID 106776820) is N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine.
What is the SMILES notation for N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine?
The canonical SMILES for N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine is CCNCc1cnc(NC(C)(C)C)c2ccccc12.
What is the InChIKey of N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine?
The InChIKey is HATHPBNNTSBGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-17-10-12-11-18-15(19-16(2,3)4)14-9-7-6-8-13(12)14/h6-9,11,17H,5,10H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine?
N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine is sourced from PubChem (CID 106776820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).