N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine

C15H21N3 — CID 107445864

IUPACN'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine
SMILESCC(C)(C)NCCNc1cccc2ccncc12
InChIInChI=1S/C15H21N3/c1-15(2,3)18-10-9-17-14-6-4-5-12-7-8-16-11-13(12)14/h4-8,11,17-18H,9-10H2,1-3H3
InChIKeySEBPWGRGRPFRNL-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.03
Rot. Bonds4

About N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine

N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine (PubChem CID 107445864) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine
PubChem CID107445864
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine
SMILESCC(C)(C)NCCNc1cccc2ccncc12
InChIInChI=1S/C15H21N3/c1-15(2,3)18-10-9-17-14-6-4-5-12-7-8-16-11-13(12)14/h4-8,11,17-18H,9-10H2,1-3H3
InChIKeySEBPWGRGRPFRNL-UHFFFAOYSA-N
XLogP3.03
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propylisoquinolin-8-amine
CID 54033424
N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine
CID 81033755
N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine
CID 113268291
N-(2-methoxyphenyl)isoquinolin-8-amine
CID 82582626
2,2,2-trichloro-N-isoquinolin-8-ylacetamide
CID 22032621
isoquinolin-8-ylurea
CID 67363282
N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-8-amine
CID 113354954
3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol
CID 81413794
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
CID 107444874
1-(tert-butylamino)-2-isoquinolin-5-ylpropan-2-ol
CID 66038703
1-bromo-N-isoquinolin-8-ylmethanesulfonamide
CID 83085582

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine (CID 107445864) is N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine is CC(C)(C)NCCNc1cccc2ccncc12.
What is the InChIKey of N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine?
The InChIKey is SEBPWGRGRPFRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,3)18-10-9-17-14-6-4-5-12-7-8-16-11-13(12)14/h4-8,11,17-18H,9-10H2,1-3H3.
What are the key properties of N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine?
N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine has a molecular weight of 243.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine is sourced from PubChem (CID 107445864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).