[6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine

C9H16F2N2 — CID 21301294

IUPAC[6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1CC2CC(CN)C1C2(F)F
InChIInChI=1S/C9H16F2N2/c10-9(11)7-1-5(3-12)8(9)6(2-7)4-13/h5-8H,1-4,12-13H2
InChIKeyATIOGCRLZANZJL-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.81
Rot. Bonds2

About [6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine

[6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 21301294) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is [6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID21301294
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name[6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1CC2CC(CN)C1C2(F)F
InChIInChI=1S/C9H16F2N2/c10-9(11)7-1-5(3-12)8(9)6(2-7)4-13/h5-8H,1-4,12-13H2
InChIKeyATIOGCRLZANZJL-UHFFFAOYSA-N
XLogP0.81
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine with MolForge

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Related Compounds

[2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride
CID 146026791
[(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine
CID 124915343
[(1R,2R)-2-bromocyclopropyl]methanamine
CID 178200198
[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 101007268
(3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine
CID 134438278
7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine
CID 21301277
[2-(aminomethyl)cyclobutyl]methanamine;hydrochloride
CID 175788563
[2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride
CID 155896271
ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine
CID 145337614
[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamine
CID 12732836
(3,3-difluorocyclobutyl)methanamine
CID 45480376
[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 161192187

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine (CID 21301294) is [6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine is NCC1CC2CC(CN)C1C2(F)F.
What is the InChIKey of [6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is ATIOGCRLZANZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c10-9(11)7-1-5(3-12)8(9)6(2-7)4-13/h5-8H,1-4,12-13H2.
What are the key properties of [6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine?
[6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 190.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 21301294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).