1-isoquinolin-8-yl-N-methylheptan-1-amine

C17H24N2 — CID 103137970

IUPAC1-isoquinolin-8-yl-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1cccc2ccncc12
InChIInChI=1S/C17H24N2/c1-3-4-5-6-10-17(18-2)15-9-7-8-14-11-12-19-13-16(14)15/h7-9,11-13,17-18H,3-6,10H2,1-2H3
InChIKeyZBONTDLVYUNVTJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.47
Rot. Bonds7

About 1-isoquinolin-8-yl-N-methylheptan-1-amine

1-isoquinolin-8-yl-N-methylheptan-1-amine (PubChem CID 103137970) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-N-methylheptan-1-amine
PubChem CID103137970
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-isoquinolin-8-yl-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1cccc2ccncc12
InChIInChI=1S/C17H24N2/c1-3-4-5-6-10-17(18-2)15-9-7-8-14-11-12-19-13-16(14)15/h7-9,11-13,17-18H,3-6,10H2,1-2H3
InChIKeyZBONTDLVYUNVTJ-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
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

1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103137487
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
N-methyl-1-pyridin-4-yldecan-1-amine
CID 62600532
N-methyl-1-quinolin-4-yloctan-1-amine
CID 105124579
N-methyl-1-quinoxalin-5-ylheptan-1-amine
CID 105126260
1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine
CID 105022083
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-N-methylheptan-1-amine?
The IUPAC name of 1-isoquinolin-8-yl-N-methylheptan-1-amine (CID 103137970) is 1-isoquinolin-8-yl-N-methylheptan-1-amine.
What is the SMILES notation for 1-isoquinolin-8-yl-N-methylheptan-1-amine?
The canonical SMILES for 1-isoquinolin-8-yl-N-methylheptan-1-amine is CCCCCCC(NC)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-N-methylheptan-1-amine?
The InChIKey is ZBONTDLVYUNVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-4-5-6-10-17(18-2)15-9-7-8-14-11-12-19-13-16(14)15/h7-9,11-13,17-18H,3-6,10H2,1-2H3.
What are the key properties of 1-isoquinolin-8-yl-N-methylheptan-1-amine?
1-isoquinolin-8-yl-N-methylheptan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-N-methylheptan-1-amine is sourced from PubChem (CID 103137970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).