[3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine

C11H17F3N2 — CID 123722045

IUPAC[3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine
SMILESCC1C=C/C(CN)=N\CC(C)C1C(F)(F)F
InChIInChI=1S/C11H17F3N2/c1-7-3-4-9(5-15)16-6-8(2)10(7)11(12,13)14/h3-4,7-8,10H,5-6,15H2,1-2H3/b4-3?,16-9+
InChIKeyHMSAHCDGAWQKSP-KLZTXKATSA-N
MW234.26 g/mol
LogP2.41
Rot. Bonds1

About [3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine

[3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine (PubChem CID 123722045) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine
PubChem CID123722045
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name[3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine
SMILESCC1C=C/C(CN)=N\CC(C)C1C(F)(F)F
InChIInChI=1S/C11H17F3N2/c1-7-3-4-9(5-15)16-6-8(2)10(7)11(12,13)14/h3-4,7-8,10H,5-6,15H2,1-2H3/b4-3?,16-9+
InChIKeyHMSAHCDGAWQKSP-KLZTXKATSA-N
XLogP2.41
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-azepine
CID 123328657
N-[(3E)-3-amino-2-imino-6,7-dimethylnona-3,8-dien-4-yl]ethanimidoyl fluoride
CID 126598647
2-[(Z)-2-methylhept-5-enyl]iminopropan-1-amine
CID 130242798

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine?
The IUPAC name of [3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine (CID 123722045) is [3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine is CC1C=C/C(CN)=N\CC(C)C1C(F)(F)F.
What is the InChIKey of [3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine?
The InChIKey is HMSAHCDGAWQKSP-KLZTXKATSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-7-3-4-9(5-15)16-6-8(2)10(7)11(12,13)14/h3-4,7-8,10H,5-6,15H2,1-2H3/b4-3?,16-9+.
What are the key properties of [3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine?
[3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine has a molecular weight of 234.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(trifluoromethyl)-2,3,4,5-tetrahydroazocin-8-yl]methanamine is sourced from PubChem (CID 123722045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).