1-isoquinolin-4-ylnonan-1-amine

C18H26N2 — CID 115856304

IUPAC1-isoquinolin-4-ylnonan-1-amine
SMILESCCCCCCCCC(N)c1cncc2ccccc12
InChIInChI=1S/C18H26N2/c1-2-3-4-5-6-7-12-18(19)17-14-20-13-15-10-8-9-11-16(15)17/h8-11,13-14,18H,2-7,12,19H2,1H3
InChIKeyLXXCRJIUQDKCMZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.99
Rot. Bonds8

About 1-isoquinolin-4-ylnonan-1-amine

1-isoquinolin-4-ylnonan-1-amine (PubChem CID 115856304) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-isoquinolin-4-ylnonan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-4-ylnonan-1-amine
PubChem CID115856304
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-isoquinolin-4-ylnonan-1-amine
SMILESCCCCCCCCC(N)c1cncc2ccccc12
InChIInChI=1S/C18H26N2/c1-2-3-4-5-6-7-12-18(19)17-14-20-13-15-10-8-9-11-16(15)17/h8-11,13-14,18H,2-7,12,19H2,1H3
InChIKeyLXXCRJIUQDKCMZ-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

(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-isoquinolin-4-ylpentan-1-ol
CID 63938213
2-ethylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65128258
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875
1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
CID 63940367
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
2-ethyl-1-isoquinolin-4-ylbutan-1-amine
CID 115856307
1-isoquinolin-1-ylnonan-1-amine
CID 63948030
3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
CID 115856292
3-(2,2-difluoroethoxy)-1-isoquinolin-4-ylpropan-1-amine
CID 103149098
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
1-tetracosan-9-ylnaphthalene
CID 175897855

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-ylnonan-1-amine?
The IUPAC name of 1-isoquinolin-4-ylnonan-1-amine (CID 115856304) is 1-isoquinolin-4-ylnonan-1-amine.
What is the SMILES notation for 1-isoquinolin-4-ylnonan-1-amine?
The canonical SMILES for 1-isoquinolin-4-ylnonan-1-amine is CCCCCCCCC(N)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-ylnonan-1-amine?
The InChIKey is LXXCRJIUQDKCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-3-4-5-6-7-12-18(19)17-14-20-13-15-10-8-9-11-16(15)17/h8-11,13-14,18H,2-7,12,19H2,1H3.
What are the key properties of 1-isoquinolin-4-ylnonan-1-amine?
1-isoquinolin-4-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-4-ylnonan-1-amine is sourced from PubChem (CID 115856304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).