N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine

C18H19N3 — CID 67942240

IUPACN-(4-pyridin-3-ylbutyl)isoquinolin-1-amine
SMILESc1cncc(CCCCNc2nccc3ccccc23)c1
InChIInChI=1S/C18H19N3/c1-2-9-17-16(8-1)10-13-21-18(17)20-12-4-3-6-15-7-5-11-19-14-15/h1-2,5,7-11,13-14H,3-4,6,12H2,(H,20,21)
InChIKeyFEQJGFQSZXAHIA-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.06
Rot. Bonds6

About N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine

N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine (PubChem CID 67942240) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-(4-pyridin-3-ylbutyl)isoquinolin-1-amine
PubChem CID67942240
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-(4-pyridin-3-ylbutyl)isoquinolin-1-amine
SMILESc1cncc(CCCCNc2nccc3ccccc23)c1
InChIInChI=1S/C18H19N3/c1-2-9-17-16(8-1)10-13-21-18(17)20-12-4-3-6-15-7-5-11-19-14-15/h1-2,5,7-11,13-14H,3-4,6,12H2,(H,20,21)
InChIKeyFEQJGFQSZXAHIA-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol
CID 106537689
5-bromo-N-(3-phenylpropyl)isoquinolin-1-amine
CID 106537707
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
N-(2-pyridin-3-ylethyl)quinolin-4-amine
CID 61339909
N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 106535281
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
CID 67942505
N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
CID 110661317
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 60725697
1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70732300
N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
CID 142682219

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine?
The IUPAC name of N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine (CID 67942240) is N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine.
What is the SMILES notation for N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine?
The canonical SMILES for N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine is c1cncc(CCCCNc2nccc3ccccc23)c1.
What is the InChIKey of N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine?
The InChIKey is FEQJGFQSZXAHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-9-17-16(8-1)10-13-21-18(17)20-12-4-3-6-15-7-5-11-19-14-15/h1-2,5,7-11,13-14H,3-4,6,12H2,(H,20,21).
What are the key properties of N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine?
N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine has a molecular weight of 277.37 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine is sourced from PubChem (CID 67942240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).