N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine

C17H24N2 — CID 115748477

IUPACN-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine
SMILESCC(C)CCCCNCc1cncc2ccccc12
InChIInChI=1S/C17H24N2/c1-14(2)7-5-6-10-18-12-16-13-19-11-15-8-3-4-9-17(15)16/h3-4,8-9,11,13-14,18H,5-7,10,12H2,1-2H3
InChIKeyLIZBHKSAGGLNTJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.15
Rot. Bonds7

About N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine

N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine (PubChem CID 115748477) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine
PubChem CID115748477
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine
SMILESCC(C)CCCCNCc1cncc2ccccc12
InChIInChI=1S/C17H24N2/c1-14(2)7-5-6-10-18-12-16-13-19-11-15-8-3-4-9-17(15)16/h3-4,8-9,11,13-14,18H,5-7,10,12H2,1-2H3
InChIKeyLIZBHKSAGGLNTJ-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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

7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
3-fluoro-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748569
3-butoxy-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748161
N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine
CID 115748187
4-imidazol-1-yl-N-(isoquinolin-4-ylmethyl)butan-1-amine
CID 115748322
N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 115748244
3-(isoquinolin-4-ylmethylamino)propanoic acid
CID 104503840
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103823588
N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
CID 63421085
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
CID 28527730

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine?
The IUPAC name of N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine (CID 115748477) is N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine.
What is the SMILES notation for N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine?
The canonical SMILES for N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine is CC(C)CCCCNCc1cncc2ccccc12.
What is the InChIKey of N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine?
The InChIKey is LIZBHKSAGGLNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-14(2)7-5-6-10-18-12-16-13-19-11-15-8-3-4-9-17(15)16/h3-4,8-9,11,13-14,18H,5-7,10,12H2,1-2H3.
What are the key properties of N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine?
N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine is sourced from PubChem (CID 115748477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).