6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide

C9H13FN2O — CID 142808076

IUPAC6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCNC(=O)C1=CC(F)CC=C1CN
InChIInChI=1S/C9H13FN2O/c1-12-9(13)8-4-7(10)3-2-6(8)5-11/h2,4,7H,3,5,11H2,1H3,(H,12,13)
InChIKeyLKIKKVMIYCPKDN-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.29
Rot. Bonds2

About 6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide

6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 142808076) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide
PubChem CID142808076
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCNC(=O)C1=CC(F)CC=C1CN
InChIInChI=1S/C9H13FN2O/c1-12-9(13)8-4-7(10)3-2-6(8)5-11/h2,4,7H,3,5,11H2,1H3,(H,12,13)
InChIKeyLKIKKVMIYCPKDN-UHFFFAOYSA-N
XLogP0.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 21941169
CID 21941169
CID 163674957
CID 163674957
CID 68075676
CID 68075676
CID 68910526
CID 68910526
CID 89341011
CID 89341011
CID 89965764
CID 89965764
CID 90227876
CID 90227876
CID 118301552
CID 118301552
CID 122468506
CID 122468506
CID 123878957
CID 123878957
CID 123964128
CID 123964128
CID 142523117
CID 142523117

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide (CID 142808076) is 6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide is CNC(=O)C1=CC(F)CC=C1CN.
What is the InChIKey of 6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is LKIKKVMIYCPKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-12-9(13)8-4-7(10)3-2-6(8)5-11/h2,4,7H,3,5,11H2,1H3,(H,12,13).
What are the key properties of 6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide?
6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 184.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 142808076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).