(2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine

C19H28N2 — CID 160577126

IUPAC(2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine
SMILESCCCCCCC[C@@H](C)NCc1ccc2cnccc2c1
InChIInChI=1S/C19H28N2/c1-3-4-5-6-7-8-16(2)21-14-17-9-10-19-15-20-12-11-18(19)13-17/h9-13,15-16,21H,3-8,14H2,1-2H3/t16-/m1/s1
InChIKeyKCTMCIXXPFPFIH-MRXNPFEDSA-N
MW284.45 g/mol
LogP5.07
Rot. Bonds9

About (2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine

(2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine (PubChem CID 160577126) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine.

Molecular Properties

Compound Name(2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine
PubChem CID160577126
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name(2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine
SMILESCCCCCCC[C@@H](C)NCc1ccc2cnccc2c1
InChIInChI=1S/C19H28N2/c1-3-4-5-6-7-8-16(2)21-14-17-9-10-19-15-20-12-11-18(19)13-17/h9-13,15-16,21H,3-8,14H2,1-2H3/t16-/m1/s1
InChIKeyKCTMCIXXPFPFIH-MRXNPFEDSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.07
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-(isoquinolin-6-ylmethyl)heptan-2-amine
CID 107037843
(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
(6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol
CID 161001585
(2S,5R)-2-benzyl-5-(isoquinolin-6-ylmethylamino)hexanoic acid
CID 158703446
(5R)-2-benzyl-5-(isoquinolin-6-ylmethylamino)hexanoic acid;methane
CID 159572075
N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine
CID 107038630

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine?
The IUPAC name of (2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine (CID 160577126) is (2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine.
What is the SMILES notation for (2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine?
The canonical SMILES for (2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine is CCCCCCC[C@@H](C)NCc1ccc2cnccc2c1.
What is the InChIKey of (2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine?
The InChIKey is KCTMCIXXPFPFIH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2/c1-3-4-5-6-7-8-16(2)21-14-17-9-10-19-15-20-12-11-18(19)13-17/h9-13,15-16,21H,3-8,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine?
(2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine has a molecular weight of 284.45 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine is sourced from PubChem (CID 160577126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).