4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine

C14H16FN3 — CID 82572357

IUPAC4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine
SMILESCN(C)c1ncc(NC2CC2)c2c(F)cccc12
InChIInChI=1S/C14H16FN3/c1-18(2)14-10-4-3-5-11(15)13(10)12(8-16-14)17-9-6-7-9/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeySTYGDPMDAUUBSE-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.01
Rot. Bonds3

About 4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine

4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine (PubChem CID 82572357) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine
PubChem CID82572357
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine
SMILESCN(C)c1ncc(NC2CC2)c2c(F)cccc12
InChIInChI=1S/C14H16FN3/c1-18(2)14-10-4-3-5-11(15)13(10)12(8-16-14)17-9-6-7-9/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeySTYGDPMDAUUBSE-UHFFFAOYSA-N
XLogP3.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine with MolForge

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Related Compounds

4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine
CID 82572343
N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine
CID 82572426
1-N-cyclopentyl-3-fluorobenzene-1,2-diamine
CID 60783191
3-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43784213
1-N-([1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 73053607
4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
CID 56816066
8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine
CID 82572449
4-tert-butyl-N-(2,3-difluorophenyl)cycloheptan-1-amine
CID 65089879
3-N-(3,4-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64733175
3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64752142
N-(2,6-difluorophenyl)cycloheptanamine
CID 28974538
1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine?
The IUPAC name of 4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine (CID 82572357) is 4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine is CN(C)c1ncc(NC2CC2)c2c(F)cccc12.
What is the InChIKey of 4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine?
The InChIKey is STYGDPMDAUUBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-18(2)14-10-4-3-5-11(15)13(10)12(8-16-14)17-9-6-7-9/h3-5,8-9,17H,6-7H2,1-2H3.
What are the key properties of 4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine?
4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine has a molecular weight of 245.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine is sourced from PubChem (CID 82572357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).