N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine

C19H28N2 — CID 107038630

IUPACN-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine
SMILESCCCCCC(C)(C)CNCc1ccc2cnccc2c1
InChIInChI=1S/C19H28N2/c1-4-5-6-10-19(2,3)15-21-13-16-7-8-18-14-20-11-9-17(18)12-16/h7-9,11-12,14,21H,4-6,10,13,15H2,1-3H3
InChIKeyGEFLIIOORXCKQX-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.93
Rot. Bonds8

About N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine

N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine (PubChem CID 107038630) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine
PubChem CID107038630
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine
SMILESCCCCCC(C)(C)CNCc1ccc2cnccc2c1
InChIInChI=1S/C19H28N2/c1-4-5-6-10-19(2,3)15-21-13-16-7-8-18-14-20-11-9-17(18)12-16/h7-9,11-12,14,21H,4-6,10,13,15H2,1-3H3
InChIKeyGEFLIIOORXCKQX-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.93
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
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine
CID 107038817
(2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine
CID 160577126
ethyl 2-(isoquinolin-6-ylmethylamino)acetate
CID 107038009
N-[[4-(difluoromethyl)phenyl]methyl]-2,2-dimethylheptan-1-amine
CID 115524107
6-N-(2,2-dimethylheptyl)isoquinoline-5,6-diamine
CID 106948270
2-(isoquinolin-6-ylmethylamino)-N-methylacetamide
CID 107037794
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
CID 107038031
1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 107038302
N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 107037714
N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 107038897

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine?
The IUPAC name of N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine (CID 107038630) is N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine.
What is the SMILES notation for N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine?
The canonical SMILES for N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine is CCCCCC(C)(C)CNCc1ccc2cnccc2c1.
What is the InChIKey of N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine?
The InChIKey is GEFLIIOORXCKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-5-6-10-19(2,3)15-21-13-16-7-8-18-14-20-11-9-17(18)12-16/h7-9,11-12,14,21H,4-6,10,13,15H2,1-3H3.
What are the key properties of N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine?
N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine is sourced from PubChem (CID 107038630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).