N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine

C13H21FN2 — CID 174895415

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine
SMILESCN(C)C1(CNC2C=CC=CC2F)CCC1
InChIInChI=1S/C13H21FN2/c1-16(2)13(8-5-9-13)10-15-12-7-4-3-6-11(12)14/h3-4,6-7,11-12,15H,5,8-10H2,1-2H3
InChIKeyXYFPXAHVKHTKMZ-UHFFFAOYSA-N
MW224.32 g/mol
LogP1.89
Rot. Bonds4

About N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 174895415) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine
PubChem CID174895415
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine
SMILESCN(C)C1(CNC2C=CC=CC2F)CCC1
InChIInChI=1S/C13H21FN2/c1-16(2)13(8-5-9-13)10-15-12-7-4-3-6-11(12)14/h3-4,6-7,11-12,15H,5,8-10H2,1-2H3
InChIKeyXYFPXAHVKHTKMZ-UHFFFAOYSA-N
XLogP1.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine (CID 174895415) is N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine is CN(C)C1(CNC2C=CC=CC2F)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is XYFPXAHVKHTKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-16(2)13(8-5-9-13)10-15-12-7-4-3-6-11(12)14/h3-4,6-7,11-12,15H,5,8-10H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 224.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 174895415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).