6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide

C18H21F3N4O — CID 167922155

IUPAC6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide
SMILESNCC1CC2(C1)CC(C(=O)NCc1ccc(C3(C(F)(F)F)N=N3)cc1)C2
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)17(24-25-17)14-3-1-11(2-4-14)10-23-15(26)13-7-16(8-13)5-12(6-16)9-22/h1-4,12-13H,5-10,22H2,(H,23,26)
InChIKeyLCVGDTAFEDVTMH-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.25
Rot. Bonds5

About 6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide

6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide (PubChem CID 167922155) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide
PubChem CID167922155
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide
SMILESNCC1CC2(C1)CC(C(=O)NCc1ccc(C3(C(F)(F)F)N=N3)cc1)C2
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)17(24-25-17)14-3-1-11(2-4-14)10-23-15(26)13-7-16(8-13)5-12(6-16)9-22/h1-4,12-13H,5-10,22H2,(H,23,26)
InChIKeyLCVGDTAFEDVTMH-UHFFFAOYSA-N
XLogP3.25
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide with MolForge

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Related Compounds

(3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide
CID 167758030
4-[[(3,3-dibromocyclobutanecarbonyl)amino]methyl]benzoic acid
CID 167797220
4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672387
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine
CID 123482396
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide
CID 178036109
3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide
CID 126778492
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
(1S,3R,4R)-4-amino-3-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940236
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
CID 156825046

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide (CID 167922155) is 6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide is NCC1CC2(C1)CC(C(=O)NCc1ccc(C3(C(F)(F)F)N=N3)cc1)C2.
What is the InChIKey of 6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide?
The InChIKey is LCVGDTAFEDVTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c19-18(20,21)17(24-25-17)14-3-1-11(2-4-14)10-23-15(26)13-7-16(8-13)5-12(6-16)9-22/h1-4,12-13H,5-10,22H2,(H,23,26).
What are the key properties of 6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide?
6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]spiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 167922155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).