1-isoquinolin-1-ylnonan-1-amine

C18H26N2 — CID 63948030

IUPAC1-isoquinolin-1-ylnonan-1-amine
SMILESCCCCCCCCC(N)c1nccc2ccccc12
InChIInChI=1S/C18H26N2/c1-2-3-4-5-6-7-12-17(19)18-16-11-9-8-10-15(16)13-14-20-18/h8-11,13-14,17H,2-7,12,19H2,1H3
InChIKeyYAUXUPBPFKJLHL-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.99
Rot. Bonds8

About 1-isoquinolin-1-ylnonan-1-amine

1-isoquinolin-1-ylnonan-1-amine (PubChem CID 63948030) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-isoquinolin-1-ylnonan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-1-ylnonan-1-amine
PubChem CID63948030
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-isoquinolin-1-ylnonan-1-amine
SMILESCCCCCCCCC(N)c1nccc2ccccc12
InChIInChI=1S/C18H26N2/c1-2-3-4-5-6-7-12-17(19)18-16-11-9-8-10-15(16)13-14-20-18/h8-11,13-14,17H,2-7,12,19H2,1H3
InChIKeyYAUXUPBPFKJLHL-UHFFFAOYSA-N
XLogP4.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.99
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-(1-phenyltridecyl)isoquinoline
CID 154136877
1-isoquinolin-1-yl-4-phenylbutan-1-amine
CID 63950465
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-(3-chloro-2-pyridinyl)tridecan-1-amine
CID 103443784
1-isoquinolin-1-ylpentylhydrazine
CID 105220521
1-isoquinolin-1-yl-3-methylsulfonylpropan-1-amine
CID 63950264
1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474755
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine
CID 103031360
1-isoquinolin-4-ylnonan-1-amine
CID 115856304
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-ylnonan-1-amine?
The IUPAC name of 1-isoquinolin-1-ylnonan-1-amine (CID 63948030) is 1-isoquinolin-1-ylnonan-1-amine.
What is the SMILES notation for 1-isoquinolin-1-ylnonan-1-amine?
The canonical SMILES for 1-isoquinolin-1-ylnonan-1-amine is CCCCCCCCC(N)c1nccc2ccccc12.
What is the InChIKey of 1-isoquinolin-1-ylnonan-1-amine?
The InChIKey is YAUXUPBPFKJLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-3-4-5-6-7-12-17(19)18-16-11-9-8-10-15(16)13-14-20-18/h8-11,13-14,17H,2-7,12,19H2,1H3.
What are the key properties of 1-isoquinolin-1-ylnonan-1-amine?
1-isoquinolin-1-ylnonan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-ylnonan-1-amine is sourced from PubChem (CID 63948030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).