N-(isoquinolin-6-ylmethyl)heptan-2-amine

C17H24N2 — CID 107037843

IUPACN-(isoquinolin-6-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)NCc1ccc2cnccc2c1
InChIInChI=1S/C17H24N2/c1-3-4-5-6-14(2)19-12-15-7-8-17-13-18-10-9-16(17)11-15/h7-11,13-14,19H,3-6,12H2,1-2H3
InChIKeyFSLNLRLLUHXXIR-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.29
Rot. Bonds7

About N-(isoquinolin-6-ylmethyl)heptan-2-amine

N-(isoquinolin-6-ylmethyl)heptan-2-amine (PubChem CID 107037843) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(isoquinolin-6-ylmethyl)heptan-2-amine.

Molecular Properties

Compound NameN-(isoquinolin-6-ylmethyl)heptan-2-amine
PubChem CID107037843
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-(isoquinolin-6-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)NCc1ccc2cnccc2c1
InChIInChI=1S/C17H24N2/c1-3-4-5-6-14(2)19-12-15-7-8-17-13-18-10-9-16(17)11-15/h7-11,13-14,19H,3-6,12H2,1-2H3
InChIKeyFSLNLRLLUHXXIR-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.29
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

(2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine
CID 160577126
(2R)-6-[4-(2-aminoethyl)phenyl]-N-(isoquinolin-6-ylmethyl)hexan-2-amine
CID 158414323
(1R,6R)-6-(isoquinolin-6-ylmethylamino)-1-phenylheptan-1-ol;hydrochloride
CID 158232462
(2R)-N-(isoquinolin-6-ylmethyl)-6-(4-phenylphenyl)hexan-2-amine
CID 159200928
(2R)-N-(isoquinolin-6-ylmethyl)-6-(1,2-thiazol-3-yl)hexan-2-amine
CID 157247655
(2R)-N-(isoquinolin-6-ylmethyl)-6-thiophen-3-ylhexan-2-amine
CID 159499848
(2R)-6-(3-fluorophenyl)-N-(isoquinolin-6-ylmethyl)hexan-2-amine;hydrochloride
CID 159382135
(1S,5R)-1-(4-fluorophenyl)-5-(isoquinolin-6-ylmethylamino)hexan-1-ol
CID 157353880
(2S,5R)-2-benzyl-5-(isoquinolin-6-ylmethylamino)hexanoic acid
CID 158703446
(5R)-2-benzyl-5-(isoquinolin-6-ylmethylamino)hexanoic acid;methane
CID 159572075
(6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol
CID 161001585
N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine
CID 107038630

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-6-ylmethyl)heptan-2-amine?
The IUPAC name of N-(isoquinolin-6-ylmethyl)heptan-2-amine (CID 107037843) is N-(isoquinolin-6-ylmethyl)heptan-2-amine.
What is the SMILES notation for N-(isoquinolin-6-ylmethyl)heptan-2-amine?
The canonical SMILES for N-(isoquinolin-6-ylmethyl)heptan-2-amine is CCCCCC(C)NCc1ccc2cnccc2c1.
What is the InChIKey of N-(isoquinolin-6-ylmethyl)heptan-2-amine?
The InChIKey is FSLNLRLLUHXXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-4-5-6-14(2)19-12-15-7-8-17-13-18-10-9-16(17)11-15/h7-11,13-14,19H,3-6,12H2,1-2H3.
What are the key properties of N-(isoquinolin-6-ylmethyl)heptan-2-amine?
N-(isoquinolin-6-ylmethyl)heptan-2-amine has a molecular weight of 256.39 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-6-ylmethyl)heptan-2-amine is sourced from PubChem (CID 107037843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).