N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine

C16H24N4 — CID 105244064

IUPACN,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine
SMILESCCN(CC)CCC(NN)c1cncc2ccccc12
InChIInChI=1S/C16H24N4/c1-3-20(4-2)10-9-16(19-17)15-12-18-11-13-7-5-6-8-14(13)15/h5-8,11-12,16,19H,3-4,9-10,17H2,1-2H3
InChIKeyVLUKREXQSWOQDG-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.47
Rot. Bonds7

About N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine

N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine (PubChem CID 105244064) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine
PubChem CID105244064
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine
SMILESCCN(CC)CCC(NN)c1cncc2ccccc12
InChIInChI=1S/C16H24N4/c1-3-20(4-2)10-9-16(19-17)15-12-18-11-13-7-5-6-8-14(13)15/h5-8,11-12,16,19H,3-4,9-10,17H2,1-2H3
InChIKeyVLUKREXQSWOQDG-UHFFFAOYSA-N
XLogP2.47
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine
CID 105248975
(1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine
CID 105213889
N,N-diethyl-3-hydrazinyl-3-(2-methoxyphenyl)propan-1-amine
CID 105243936
(2-ethyl-1-isoquinolin-4-ylbutyl)hydrazine
CID 105306338
N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine
CID 79086923
1-isoquinolin-4-ylpentan-1-ol
CID 63938213
N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
CID 63939203
1-isoquinolin-4-yl-4-methyl-N-propylpentan-1-amine
CID 63940553
N,N-diethyl-3-(5-fluoro-3-pyridinyl)-3-hydrazinylpropan-1-amine
CID 105244160
2-ethyl-1-isoquinolin-4-ylbutan-1-amine
CID 115856307
1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine
CID 63940368
N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105243943

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine?
The IUPAC name of N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine (CID 105244064) is N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine.
What is the SMILES notation for N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine?
The canonical SMILES for N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine is CCN(CC)CCC(NN)c1cncc2ccccc12.
What is the InChIKey of N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine?
The InChIKey is VLUKREXQSWOQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-20(4-2)10-9-16(19-17)15-12-18-11-13-7-5-6-8-14(13)15/h5-8,11-12,16,19H,3-4,9-10,17H2,1-2H3.
What are the key properties of N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine?
N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine is sourced from PubChem (CID 105244064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).