N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine

C16H22N2 — CID 64505408

IUPACN-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1cccc2cnccc12
InChIInChI=1S/C16H22N2/c1-13(2)11-17-9-4-7-14-5-3-6-15-12-18-10-8-16(14)15/h3,5-6,8,10,12-13,17H,4,7,9,11H2,1-2H3
InChIKeyOJPRBKCDGAMNDC-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.41
Rot. Bonds6

About N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine

N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine (PubChem CID 64505408) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine
PubChem CID64505408
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1cccc2cnccc12
InChIInChI=1S/C16H22N2/c1-13(2)11-17-9-4-7-14-5-3-6-15-12-18-10-8-16(14)15/h3,5-6,8,10,12-13,17H,4,7,9,11H2,1-2H3
InChIKeyOJPRBKCDGAMNDC-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-isoquinolin-5-ylpropyl)thiohydroxylamine
CID 87755236
N-(isoquinolin-5-ylmethyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62823909
5-(3-chloro-4-methylpentyl)isoquinoline
CID 64506425
N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine
CID 62823531
1-N-(isoquinolin-5-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 62824247
N-(isoquinolin-5-ylmethyl)-5-methylsulfanylpentan-1-amine
CID 104923096
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
CID 94873246
N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine
CID 55118905
N-(isoquinolin-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 63242304
1-(isoquinolin-5-ylmethylamino)pentan-2-ol
CID 113381728
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520

Frequently Asked Questions

What is the IUPAC name of N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine?
The IUPAC name of N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine (CID 64505408) is N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine is CC(C)CNCCCc1cccc2cnccc12.
What is the InChIKey of N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine?
The InChIKey is OJPRBKCDGAMNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13(2)11-17-9-4-7-14-5-3-6-15-12-18-10-8-16(14)15/h3,5-6,8,10,12-13,17H,4,7,9,11H2,1-2H3.
What are the key properties of N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine?
N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine is sourced from PubChem (CID 64505408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).